Sugi Predict

Sugi Predict / Compounds / SCHEMBL2985757

SCHEMBL2985757

SCHEMBL2985757

N#CC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.75
▸ OPRM1 P35372 2/20 0.58
▸ CA12 O43570 2/20 0.57
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57
▸ CA4 P22748 2/20 0.57
▸ CA5A P35218 2/20 0.57
▸ CA7 P43166 2/20 0.57
▸ CA9 Q16790 2/20 0.57
▸ CA13 Q8N1Q1 2/20 0.57
▸ CA14 Q9ULX7 2/20 0.57
▸ NPFFR1 Q9GZQ6 4/20 0.52
▸ NPFFR2 Q9Y5X5 4/20 0.52
▸ CYP3A4 P08684 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ SIGMAR1 Q99720 2/20 0.49
▸ OPRL1 P41146 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL654710 0.92 SMN1; SMN2 (0.64) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL5561697 0.91 SMN1; SMN2 (0.63) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL7706443 0.91 SMN1; SMN2 (0.63) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL16876699 0.91 SMN1; SMN2 (0.63) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL16876701 0.91 SMN1; SMN2 (0.63) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL6045751 0.88 SMN1; SMN2 (0.60) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL593215 0.87 SMN1; SMN2 (0.59) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL7705959 0.87 SMN1; SMN2 (0.59) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL20187178 0.87 SMN1; SMN2 (0.59) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL8896675 0.87 SMN1; SMN2 (0.59) SMN1; SMN2OPRM1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126455-A Preparation of substituted alkali metal piperidine-4-carboxylates GLAXO INC. (US) 1992-06-30 — — US claimed
US-5039804-A Hydrolysis of 1,3,8,-triazaspiro 4.5!decane-2,4-diones, chemical intermediates for opium type analgesics GLAXO INC. (US) 1991-08-13 — — US claimed
CN-113480536-B Spiropiperidone derivatives 中国人民解放军海军军医大学 2024-02-23 — — CN disclosed
CN-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 — — CN disclosed
US-20230126276-A1 FENTANYL HAPTENS, FENTANYL HAPTEN CONJUGATES, AND METHODS FOR MAKING AND USING ALLEGHENY-SINGER RESEARCH INSTITUTE 2023-04-27 — — US disclosed
EP-4117661-A1 FENTANYL HAPTENS, FENTANYL HAPTEN CONJUGATES, AND METHODS FOR MAKING AND USING Regents of the University of Minnesota (US) 2023-01-18 — — EP disclosed
CN-113480536-A Spirocyclic piperidone derivatives 中国人民解放军海军军医大学 2021-10-08 — — CN disclosed
WO-2021183913-A1 FENTANYL HAPTENS, FENTANYL HAPTEN CONJUGATES, AND METHODS FOR MAKING AND USING REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-09-16 — — WO disclosed
EP-3643704-B1 NEW INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE HAMELN PHARMA GMBH (DE) 2020-12-16 — — EP disclosed
US-10844014-B2 Intermediates for the preparation of remifentanil hydrochloride HAMELN PHARMA GMBH (DE) 2020-11-24 — — US disclosed
US-20200131127-A1 INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE HAMELN PHARMA PLUS GMBH (DE) 2020-04-30 — — US disclosed
EP-0970957-A1 Diaza-spiro[3,5] nonane derivatives F. HOFFMANN-LA ROCHE AG (CH) 2000-01-12 — — EP disclosed
EP-0328830-B1 4-Heteropentacyclic-4- N-(phenyl)amido piperidine compounds OHMEDA PHARMA PROD (US) 1994-06-01 — — EP disclosed
US-5126455-A Preparation of substituted alkali metal piperidine-4-carboxylates GLAXO INC. (US) 1992-06-30 — — US disclosed
US-5039804-A Hydrolysis of 1,3,8,-triazaspiro 4.5!decane-2,4-diones, chemical intermediates for opium type analgesics GLAXO INC. (US) 1991-08-13 — — US disclosed
EP-0433048-A1 Preparation of substituted alkali metal piperidine-4-carboxylates GLAXO WELLCOME INC. (US) 1991-06-19 — — EP disclosed
US-4871749-A ANALGESICS, ANESTHETICS; SIDE EFFECT REDUCTION BOC, INC. (US) 1989-10-03 — — US disclosed
EP-0328830-A1 4-Heteropentacyclic-4- N-(phenyl)amido piperidine compounds Ohmeda Pharmaceutical Products Division Inc. (US) 1989-08-23 — — EP disclosed
US-4831192-A Methods of preparing 4-heteropentacyclic-4-(N-phenyl)amido) piperidine derivatives and intermediate compounds BOC, INC. (US) 1989-05-16 — — US disclosed
US-4791120-A ANALGESICS THE BOC GROUP, INC. (US) 1988-12-13 — — 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-10844014-B2 Intermediates for the preparation of remifentanil hydrochloride OPRK1, OPRM1, OPRD1 SMN1; SMN2 1422/4885OPRM1 2/4885CA12 3856/4885
US-20200131127-A1 INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE OPRK1, OPRM1, OPRD1 SMN1; SMN2 1422/4885OPRM1 2/4885CA12 3856/4885
US-20230126276-A1 FENTANYL HAPTENS, FENTANYL HAPTEN CONJUGATES, AND METHODS FOR MAKING AND USING OPRK1, OPRL1, OPRM1 SMN1; SMN2 560/4885OPRM1 3/4885CA12 358/4885

“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.