SCHEMBL318959

SCHEMBL318959

O=C1NCN(c2ccc(F)cc2)C12CCNCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.73
OPRM1 P35372 11/20 0.56
OPRL1 P41146 8/20 0.56
OPRK1 P41145 6/20 0.56
OPRD1 P41143 4/20 0.56
SLC6A9 P48067 6/20 0.53
SLC6A5 Q9Y345 6/20 0.53
PLD2 O14939 3/20 0.53
PLD1 Q13393 3/20 0.53
CYP1A2 P05177 3/20 0.50
ADRB1 P08588 3/20 0.50
CYP2D6 P10635 3/20 0.50
DRD2 P14416 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
HTR2A P28223 3/20 0.50
SLC6A4 P31645 3/20 0.50
ADRA1A P35348 3/20 0.50
HRH1 P35367 3/20 0.50
DRD3 P35462 3/20 0.50

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
SCHEMBL11880961 0.85 HSD17B10 (0.73) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL3068674 0.85 HSD17B10 (0.73) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL11593274 0.85 HSD17B10 (0.73) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL5556794 0.85 HSD17B10 (0.73) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL219618 0.84 HSD17B10 (1.00) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL7587764 0.84 HSD17B10 (1.00) HSD17B10OPRM1OPRL1OPRK1OPRD1
Ammonia Solution, Strong SCHEMBL1764035 0.83 HSD17B10 (0.97) HSD17B10OPRM1OPRL1OPRK1OPRD1
Hydrochloric Acid SCHEMBL6160546 0.83 HSD17B10 (0.97) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL11878143 0.81 HSD17B10 (0.68) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL319470 0.81 HSD17B10 (0.68) 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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829579-B1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S P A (IT) 2023-08-02 EP disclosed
EP-3381896-B1 BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2023-01-18 EP disclosed
EP-3829579-A1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY Maria Cecilia Hospital S.p.A. (IT) 2021-06-09 EP disclosed
US-10723742-B2 Biphenyl compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-07-28 US disclosed
WO-2020021378-A1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S.P.A. (IT) 2020-01-30 WO disclosed
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 US disclosed
US-20180354960-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-12-13 US disclosed
US-4175129-A Antiemetic 1-(benzoxazolylalkyl)-piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-20 US disclosed
US-4160836-A Antiemetic 1-(benzothiazolylalkyl)piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1979-07-10 US disclosed
US-4126688-A ANTIEMETIC 1-(BENZOTRIAZOLYL-ALKYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-4126687-A ANTIEMETIC, 1-(BENZIMIDAZOLYL-ALKYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-4110333-A ANTIEMETIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1978-08-29 US disclosed
US-4082755-A NEUROLEPTIC JANSSEN PHARMACEUTICA N.V. (BE) 1978-04-04 US disclosed
US-4076821-A 4,4-Diphenylcycloalkylpiperidines and psychotropic compositions thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1978-02-28 US disclosed
US-4066772-A ANTIEMETICS JANSSEN PHARMACEUTICA N.V. (BE) 1978-01-03 US disclosed
US-4031226-A ANTIEMETIC, PSYCHOTROPIC JANSSEN PHARMACEUTICA N.V. (BE) 1977-06-21 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 (4 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-10723742-B2 Biphenyl compound or salt thereof KDM1B, BMI1, HDAC1 HSD17B10 627/4885OPRM1 4045/4885OPRL1 4419/4885
US-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 HSD17B10 3406/4885OPRM1 23/4885OPRL1 8/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 HSD17B10 3406/4885OPRM1 23/4885OPRL1 8/4885
US-20180354960-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF KDM1B, HDAC1, DOT1L HSD17B10 763/4885OPRM1 4144/4885OPRL1 4110/4885

“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.