Sugi Predict

Sugi Predict / Compounds / SCHEMBL2631769

SCHEMBL2631769

SCHEMBL2631769

C[C@@H](c1ccccc1)N1CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 6/20 0.79
▸ MC4R P32245 1/20 0.68
▸ CYP1A2 P05177 5/20 0.63
▸ CYP3A4 P08684 5/20 0.63
▸ CYP2C19 P33261 5/20 0.63
▸ CYP2C9 P11712 4/20 0.63
▸ KCNA5 P22460 4/20 0.63
▸ KCNH2 Q12809 4/20 0.63
▸ KCNE1 P15382 1/20 0.63
▸ OPRM1 P35372 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ OPRL1 P41146 1/20 0.56
▸ GAA P10253 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CHRM2 P08172 4/20 0.51
▸ CHRM1 P11229 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ LTA4H P09960 1/20 0.49
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL1406105 1.00 CYP2D6 (0.79) CYP2D6MC4RCYP1A2CYP3A4CYP2C19
SCHEMBL20191913 1.00 CYP2D6 (0.79) CYP2D6MC4RCYP1A2CYP3A4CYP2C19
Bromide SCHEMBL28217352 0.98 CYP2D6 (0.76) CYP2D6MC4RCYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL10551490 0.98 CYP2D6 (0.76) CYP2D6MC4RCYP1A2CYP3A4CYP2C19
SCHEMBL8983627 0.98 CYP2D6 (0.83) CYP2D6MC4RCYP1A2CYP3A4CYP2C19
SCHEMBL7097730 0.98 CYP2D6 (0.83) CYP2D6MC4RCYP1A2CYP3A4CYP2C19
SCHEMBL8983562 0.98 CYP2D6 (0.83) CYP2D6MC4RCYP1A2CYP3A4CYP2C19
SCHEMBL23850144 0.93 CYP2D6 (0.83) CYP2D6MC4RCYP1A2CYP3A4CYP2C19
SCHEMBL31046801 0.93 CYP2D6 (0.83) CYP2D6MC4RCYP1A2CYP3A4CYP2C19
SCHEMBL30364156 0.93 CYP2D6 (0.83) CYP2D6MC4RCYP1A2CYP3A4CYP2C19

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
US-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS AG (CH) 2024-07-25 — — US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 — — US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 — — US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 — — US disclosed
WO-2016202894-A1 METHOD OF CONVERTING ALCOHOL TO HALIDE UNIVERSITAET DES SAARLANDES (DE) 2016-12-22 — — WO disclosed
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 — — EP disclosed
US-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 — — US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 — — US disclosed
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 — — US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 — — US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 — — US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 — — US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 — — US disclosed
US-8420686-B2 Linked diimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2013-04-16 — — US disclosed
EP-2245027-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-04-25 — — EP disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 — — EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 — — WO 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP2D6 497/4885MC4R 4552/4885CYP1A2 175/4885
US-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 CYP2D6 1576/4885MC4R 3283/4885CYP1A2 2248/4885
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP2D6 497/4885MC4R 4552/4885CYP1A2 175/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 CYP2D6 309/4885MC4R 4361/4885CYP1A2 278/4885
US-20170107208-A1 SYNTHETIC PROCESS PIR, SRM, SMS CYP2D6 111/4885MC4R 4550/4885CYP1A2 176/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP2D6 497/4885MC4R 4552/4885CYP1A2 175/4885

“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.