SCHEMBL3068674

SCHEMBL3068674

O=C1NCN(c2ccc(Cl)cc2)C12CCNCC2

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.73
OPRM1 P35372 13/20 0.55
OPRL1 P41146 12/20 0.55
OPRK1 P41145 9/20 0.55
OPRD1 P41143 7/20 0.55
SLC6A9 P48067 5/20 0.53
SLC6A5 Q9Y345 5/20 0.53
PLD2 O14939 2/20 0.48
PLD1 Q13393 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL318959 0.85 HSD17B10 (0.73) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL5556794 0.85 HSD17B10 (0.73) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL11880961 0.85 HSD17B10 (0.73) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL11593274 0.85 HSD17B10 (0.73) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL219618 0.84 HSD17B10 (1.00) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL7587764 0.84 HSD17B10 (1.00) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL20187145 0.84 HSD17B10 (0.63) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL11595827 0.84 HSD17B10 (0.59) HSD17B10OPRM1OPRL1OPRK1OPRD1
Ammonia Solution, Strong SCHEMBL1764035 0.83 HSD17B10 (0.97) HSD17B10OPRM1OPRL1OPRK1OPRD1
Hydrochloric Acid SCHEMBL6160546 0.83 HSD17B10 (0.97) HSD17B10OPRM1OPRL1OPRK1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
CN-107849044-B Triaza-spirodecanones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2021-06-25 CN disclosed
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-10-08 US disclosed
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-06 US disclosed
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMAN LA-ROCHE INC. (US) 2019-03-26 US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 US disclosed
EP-1931680-B1 INDOL-3-YL-CARBONYL-AZASPIRO DERIVATIVES AS VASOPRESSIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
US-7790752-B2 Indol-3-yl-carbonyl-azaspiro derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7189850-B2 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2007-03-13 US disclosed
US-7189850-B2 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2007-03-13 US disclosed
US-7189850-B2 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2007-03-13 US disclosed
EP-1678177-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-12 EP disclosed
US-20050107373-A1 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 US disclosed
WO-2005040166-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
EP-0273168-A1 Triazaspirodecanylmethylindolone derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-07-06 EP disclosed
US-4707484-A Substituted piperidinomethylindolone and cyclopent(b)indolone derivatives HOFFMANN-LA ROCHE INC. (US) 1987-11-17 US disclosed
US-4076821-A 4,4-Diphenylcycloalkylpiperidines and psychotropic compositions thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1978-02-28 US disclosed
US-3996363-A ANTIDEPRESSANT, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-12-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA HSD17B10 2979/4885OPRM1 3406/4885OPRL1 644/4885
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 HSD17B10 2768/4885OPRM1 4280/4885OPRL1 2399/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 HSD17B10 2768/4885OPRM1 4280/4885OPRL1 2399/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 HSD17B10 2768/4885OPRM1 4280/4885OPRL1 2399/4885
US-20050107373-A1 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease GRIN1, GRIN2A, GRM1 HSD17B10 2689/4885OPRM1 70/4885OPRL1 8/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA HSD17B10 2979/4885OPRM1 3406/4885OPRL1 644/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 HSD17B10 2768/4885OPRM1 4280/4885OPRL1 2399/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.