Sugi Predict

Sugi Predict / Compounds / SCHEMBL654668

SCHEMBL654668

SCHEMBL654668

COc1ccc(C2(O)CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.59
▸ SIGMAR1 Q99720 4/20 0.51
▸ OPRM1 P35372 3/20 0.51
▸ OPRL1 P41146 3/20 0.51
▸ OPRD1 P41143 2/20 0.51
▸ OPRK1 P41145 2/20 0.51
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR3D Q70Z44 1/20 0.44
▸ HTR3C Q8WXA8 1/20 0.44

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
Hydrochloric Acid SCHEMBL9529474 0.98 DRD2 (0.58) DRD2SIGMAR1OPRM1OPRL1OPRD1
SCHEMBL13771426 0.89 DRD2 (0.47) DRD2SIGMAR1OPRM1OPRL1OPRD1
SCHEMBL28299186 0.86 OPRM1 (0.58) DRD2OPRM1OPRL1OPRD1OPRK1
Tert-Butyl Formate SCHEMBL28091894 0.85 DRD2 (0.45) DRD2SIGMAR1OPRM1OPRL1OPRD1
SCHEMBL6730322 0.85 DRD2 (0.47) DRD2SIGMAR1OPRM1OPRL1OPRD1
SCHEMBL3024680 0.85 CHRNA1 (0.47) DRD2SIGMAR1OPRM1OPRL1OPRD1
SCHEMBL8395305 0.82 HTR1A (0.50) DRD2SIGMAR1OPRM1OPRL1OPRD1
SCHEMBL10319703 0.82 OPRM1 (0.55) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL12317609 0.82 OPRM1 (0.55) OPRM1OPRL1OPRD1OPRK1MEN1
Tert-Butyl Formate SCHEMBL28103919 0.81 DRD2 (0.41) DRD2SIGMAR1OPRM1OPRL1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384707-B Benzo (aliphatic) cyclo derivative and use thereof 华东理工大学 2021-12-17 — — CN disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 — — US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — 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
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 — — US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 — — US disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 — — US disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 — — US disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 — — US disclosed
US-5243051-A Treatment of psychological disorders SHIONIGI & CO., LTD. (JP) 1993-09-07 — — US disclosed
US-5149817-A Psychotropic agents SHIONOGI & CO., LTD. (JP) 1992-09-22 — — US disclosed
EP-0445701-A1 Novel tetrahydropyridine derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-09-11 — — EP disclosed
US-4324791-A DERIVATIVES OF 3,3-DIPHENYL-2-PYRROLIDINONES A. H. ROBINS COMPANY, INC. (US) 1982-04-13 — — US disclosed
US-4140781-A Analgesic and neuraleptic 2-piperidinoalkyl-1,4-benzodioxans CIBA-GEIGY CORPORATION (US) 1979-02-20 — — US disclosed
US-4129655-A Neuroleptic 2-piperidinoalkyl-1,4-benzodioxans CIBA-GEIGY CORPORATION (US) 1978-12-12 — — US disclosed
US-4120969-A ANALGETIC, ANTIDIARRHEAL ACTIVITY A. H. ROBINS COMPANY, INCORPORATED (US) 1978-10-17 — — US disclosed
US-4104396-A NEUROLEPTIC, ANALGESIC CIBA-GEIGY CORPORATION (US) 1978-08-01 — — US disclosed
US-4039676-A NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1977-08-02 — — US disclosed
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 — — 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 (5 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-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 DRD2 3118/4885SIGMAR1 483/4885OPRM1 549/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 DRD2 3118/4885SIGMAR1 483/4885OPRM1 549/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 DRD2 4124/4885SIGMAR1 1063/4885OPRM1 1787/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 DRD2 3118/4885SIGMAR1 483/4885OPRM1 549/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 DRD2 4124/4885SIGMAR1 1063/4885OPRM1 1787/4885

“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.