SCHEMBL7620141

SCHEMBL7620141

CC1(C)CC(N)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 2/20 0.30
TLR4 O00206 1/20 0.30

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
SCHEMBL811288 0.74 CRBN (0.37) MEN1ALDH1A1CYP3A4KMT2ACYP19A1
SCHEMBL3959451 0.70
SCHEMBL6560991 0.68 APLNR (0.45) ALDH1A1CYP19A1
SCHEMBL12493062 0.67
SCHEMBL17243999 0.65
SCHEMBL16388405 0.65 BRD4 (0.39) ALDH1A1KMT2A
SCHEMBL16822123 0.65 ALOX15 (0.32) TLR4
SCHEMBL7751356 0.64 CRBN (0.36) MEN1ALDH1A1CYP3A4KMT2ACYP19A1
SCHEMBL2904914 0.64
SCHEMBL14275680 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262812-A1 4, 5, 6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN MEDICINES YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-08-20 US disclosed
EP-3441388-A1 4,5,6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2019-02-13 EP disclosed
US-6376536-B1 VIRICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
EP-1104416-A2 QUATERNARY AMMONIUM SALTS AND THEIR USE AS ANTI-HIV AGENTS Takeda Chemical Industries, Ltd. (JP) 2001-06-06 EP disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-2000010965-A2 QUATERNARY AMMONIUM SALTS AND THEIR USE AS ANTI-HIV AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-02 WO disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 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 (1 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-20200262812-A1 4, 5, 6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN MEDICINES CYP3A4, CYP4B1, CYP3A7 MEN1 899/4885ALDH1A1 314/4885CYP3A4 1/4885

“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.