Sugi Predict

Sugi Predict / Compounds / SCHEMBL6419399

SCHEMBL6419399

SCHEMBL6419399

c1cc(C2CCCC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.54
▸ S1PR1 P21453 1/20 0.50
▸ CYP2C19 P33261 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ NOTUM Q6P988 3/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DDB1 Q16531 1/20 0.38

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
SCHEMBL29173244 0.97 CYP11B2 (0.57) CYP11B2S1PR1CYP2C19CYP1A2CYP3A4
SCHEMBL60634 0.97 CYP11B2 (0.57) CYP11B2S1PR1CYP2C19CYP1A2CYP3A4
SCHEMBL24602720 0.97 CYP11B2 (0.57) CYP11B2S1PR1CYP2C19CYP1A2CYP3A4
SCHEMBL24556963 0.97 CYP11B2 (0.57) CYP11B2S1PR1CYP2C19CYP1A2CYP3A4
SCHEMBL24556967 0.97 CYP11B2 (0.57) CYP11B2S1PR1CYP2C19CYP1A2CYP3A4
SCHEMBL1515154 0.95 CYP11B2 (0.48) CYP11B2S1PR1CYP2C19CYP1A2CYP3A4
SCHEMBL1515255 0.89 — —
SCHEMBL31621355 0.84 S1PR1 (0.64) CYP11B2S1PR1CYP2C19CYP1A2CYP3A4
SCHEMBL21078346 0.83 CYP11B2 (0.40) CYP11B2S1PR1CYP2C19CYP1A2CYP3A4
SCHEMBL18899602 0.82 S1PR1 (0.47) CYP11B2S1PR1CYP2C19CYP1A2CYP3A4

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117702142-A C (C) 4 Process for preparing substituted pyridine derivatives 五邑大学 2024-03-15 — — CN disclosed
CN-116768788-A Method for continuously synthesizing pyridine compound by adopting micro-channel reaction device through photoinduction 南京工业大学 2023-09-19 — — CN disclosed
US-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-08-31 — — US disclosed
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2023-05-30 — — US disclosed
US-9422301-B2 Carboxamide bioisosteres of opiates RENSSELAER POLYTECHNIC INSTITUTE (US) 2016-08-23 — — US disclosed
US-20150119416-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES RENSSELAER POLYTECHNIC INSTITUTE (US) 2015-04-30 — — US disclosed
US-8957085-B2 Carboxamide bioisosteres of opiates RENSSELAER POLYTECHNIC INSTITUTE (US) 2015-02-17 — — US disclosed
US-20140194457-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES RENSSELAER POLYTECHNIC INSTITUTE (US) 2014-07-10 — — US disclosed
US-8716306-B2 Carboxamide bioisosteres of opiates RENSSELAER POLYTECHNIC INSTITUTE (US) 2014-05-06 — — US disclosed
US-20130225628-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES RENSSELAER POLYTECHNIC INSTITUTE (US) 2013-08-29 — — US disclosed
US-8436175-B2 Carboxamide bioisosteres of opiates RENSSELAER POLYTECHNIC INSTITUTE (US) 2013-05-07 — — US disclosed
US-20110230511-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES RENSSELAER POLYTECHNIC INSTITUTE (US) 2011-09-22 — — US disclosed
EP-1513612-A2 GAS STORAGE MATERIALS AND DEVICES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2005-03-16 — — EP disclosed
WO-2004042270-A2 GAS STORAGE MATERIALS AND DEVICES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2004-05-21 — — WO disclosed
CN-1017902-B PROCESS FOR THE PREPARATION OF NOVEL CEPHALOSPORIN DERIVATIVES MEIJI PHARMACEUTIAL LTD (JP) 1992-08-19 — — CN disclosed
CN-85105120-A The preparation method of novel cephalosporin derivatives — 1986-12-31 — — CN disclosed
US-4031106-A Synthesis of aromatic amines by reaction of aromatic compounds with ammonia E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-06-21 — — US disclosed
US-4001260-A NICKEL-NICKEL OXIDE-ZIRCONIUM OXIDE AMINATION CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-04 — — 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 (6 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-20140194457-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES OPRK1, OPRD1, OPRM1 CYP11B2 261/4885S1PR1 2382/4885CYP2C19 266/4885
US-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A CYP11B2 1165/4885S1PR1 1040/4885CYP2C19 2650/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A CYP11B2 1165/4885S1PR1 1040/4885CYP2C19 2650/4885
US-20130225628-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES OPRK1, OPRD1, OPRM1 CYP11B2 261/4885S1PR1 2382/4885CYP2C19 266/4885
US-20110230511-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES OPRK1, OPRD1, OPRM1 CYP11B2 261/4885S1PR1 2382/4885CYP2C19 266/4885
US-20150119416-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES OPRK1, OPRD1, OPRM1 CYP11B2 261/4885S1PR1 2382/4885CYP2C19 266/4885

“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.