SCHEMBL613058

SCHEMBL613058

Cc1ccc(C2(O)CCNCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.66
OPRM1 P35372 6/20 0.50
OPRK1 P41145 3/20 0.50
OPRL1 P41146 3/20 0.50
OPRD1 P41143 2/20 0.46
SIGMAR1 Q99720 1/20 0.43
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
ADRB1 P08588 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39

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
SCHEMBL2640740 0.84 OPRM1 (0.63) DRD2OPRM1OPRK1OPRL1OPRD1
SCHEMBL13513538 0.84 OPRM1 (0.47) DRD2OPRM1OPRK1OPRL1OPRD1
SCHEMBL19525073 0.83 OPRM1 (0.44) DRD2OPRM1OPRK1OPRL1OPRD1
SCHEMBL652586 0.81 DRD2 (0.68) DRD2OPRM1OPRD1SIGMAR1KCNH2
SCHEMBL11962271 0.80 OPRM1 (0.55) DRD2OPRM1OPRK1OPRL1OPRD1
SCHEMBL10021108 0.80 OPRM1 (0.55) DRD2OPRM1OPRK1OPRL1OPRD1
SCHEMBL615480 0.79 DRD2 (0.66) DRD2OPRM1OPRK1OPRL1OPRD1
SCHEMBL187716 0.79 DRD2 (1.00) DRD2OPRM1OPRK1OPRL1OPRD1
SCHEMBL2273415 0.79 OPRM1 (0.64) DRD2OPRM1OPRK1OPRL1OPRD1
SCHEMBL578373 0.79 DRD2 (0.66) DRD2OPRM1OPRK1OPRL1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077973-A2 BENZOFURAN DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS GYOGYSZERGYAR RT. (HU) 2001-02-28 EP claimed
WO-1999058527-A2 BENZOFURAN DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS Gyógyszergyár Rt. (HU) 1999-11-18 WO claimed
WO-2023102022-A1 4-PHENYL-2-(1H-1,2,3-TRIAZOL-4-YL)PIPERIDIN-4-OL DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-08 WO disclosed
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-28 US disclosed
WO-2020215835-A1 METHOD FOR PURIFYING HALOPERIDOL 上海旭东海普药业有限公司 2020-10-29 WO disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-9856260-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2018-01-02 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
EP-3091001-A1 DIPHENYLMETHYL PIPERAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION USING SAME Aetas Pharma Co. Ltd. (JP) 2016-11-09 EP disclosed
WO-1999058527-A2 BENZOFURAN DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS Gyógyszergyár Rt. (HU) 1999-11-18 WO disclosed
WO-1999037651-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENIUM PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 WO disclosed
US-5036075-A Serotonin antagonists RHONE-POULENC SANTE (FR) 1991-07-30 US disclosed
US-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 US disclosed
US-4188396-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1980-02-12 US disclosed
US-4086234-A Process for the preparation of tertiary amines G. D. SEARLE & CO. (US) 1978-04-25 US disclosed
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 US disclosed
US-4002618-A 2,2-Diphenyl-5-(4-substituted-piperidino)-3-trans-pentenenitriles G. D. SEARLE & CO. (US) 1977-01-11 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 DRD2 2074/4885OPRM1 703/4885OPRK1 156/4885
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS P2RY14, P2RY4, P2RY13 DRD2 1159/4885OPRM1 65/4885OPRK1 22/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 DRD2 4124/4885OPRM1 1787/4885OPRK1 697/4885

“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.