SCHEMBL319470

SCHEMBL319470

COc1ccc(N2CNC(=O)C23CCNCC3)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.68
SLC6A9 P48067 4/20 0.55
SLC6A5 Q9Y345 4/20 0.55
OPRL1 P41146 9/20 0.53
OPRM1 P35372 9/20 0.50
OPRD1 P41143 6/20 0.47
OPRK1 P41145 6/20 0.47
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HTR1A P08908 2/20 0.45

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
SCHEMBL20340391 0.87 SLC6A9 (0.59) HSD17B10SLC6A9SLC6A5OPRL1OPRM1
SCHEMBL3863096 0.85 HSD17B10 (0.67) HSD17B10SLC6A9SLC6A5OPRL1OPRM1
SCHEMBL5556794 0.84 HSD17B10 (0.73) HSD17B10SLC6A9SLC6A5OPRL1OPRM1
SCHEMBL16876804 0.83 HSD17B10 (0.63) HSD17B10SLC6A9SLC6A5OPRL1OPRM1
SCHEMBL318959 0.81 HSD17B10 (0.73) HSD17B10SLC6A9SLC6A5OPRL1OPRM1
SCHEMBL3068674 0.81 HSD17B10 (0.73) HSD17B10SLC6A9SLC6A5OPRL1OPRM1
SCHEMBL11880961 0.81 HSD17B10 (0.73) HSD17B10SLC6A9OPRL1OPRM1OPRD1
SCHEMBL11593274 0.81 HSD17B10 (0.73) HSD17B10SLC6A9OPRL1OPRM1OPRD1
SCHEMBL219618 0.81 HSD17B10 (1.00) HSD17B10SLC6A9OPRL1OPRM1OPRD1
SCHEMBL7587764 0.81 HSD17B10 (1.00) HSD17B10SLC6A9OPRL1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
EP-2582701-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2013-04-24 EP disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US disclosed
WO-2011160084-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2011-12-22 WO disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7589207-B2 Cyclohexyl compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-7589207-B2 Cyclohexyl compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 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
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
US-4411904-A Diphenylpropanamines, compositions thereof and use thereof WARNER-LAMBERT COMPANY (US) 1983-10-25 US disclosed
US-4364954-A NEUROLEPTIC AGENT WARNER-LAMBERT COMPANY (US) 1982-12-21 US disclosed
US-4292321-A 1,3,8-Triazaspirodecane-4-ones, pharmaceutical compositions thereof and method of use thereof WARNER-LAMBERT COMPANY (US) 1981-09-29 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 (3 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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 HSD17B10 1611/4885SLC6A9 1499/4885SLC6A5 771/4885
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 2689/4885SLC6A9 307/4885SLC6A5 306/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 HSD17B10 1611/4885SLC6A9 1499/4885SLC6A5 771/4885

“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.