SCHEMBL6770262

SCHEMBL6770262

COc1ccc(CNC(=O)C2(CCCCBr)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MTTP P55157 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CASR P41180 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL6771541 0.89 MMP13 (0.50) RAB9AHTTALDH1A1KDM4E
SCHEMBL5863883 0.88 SMN1; SMN2 (0.42) MTTPTP53
SCHEMBL6772135 0.86 ALDH1A1 (0.53) ALDH1A1MEN1KMT2A
SCHEMBL6771247 0.85 TAS1R3 (0.51) HTTALDH1A1MEN1KMT2ATP53
SCHEMBL6766560 0.85 POLB (0.45) NPC1RAB9AALDH1A1MTTPMEN1
SCHEMBL6771422 0.84 HTT (0.44) HTTALDH1A1KDM4E
SCHEMBL7599607 0.84 NPC1 (0.46) NPC1RAB9AHTTALDH1A1KDM4E
SCHEMBL6771867 0.83 ALDH1A1 (0.46) NPC1RAB9AHTTALDH1A1MEN1
SCHEMBL6771465 0.81 MTTP (0.47) MTTP
SCHEMBL5863393 0.80 MTTP (0.47) MTTP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821967-B2 AMINES SUCH AS 9-(4-(4-(BENZOTHIAZOL-2-YL)-PIPERAZIN-1-YL)-BUTYL)-9H-FLUORENE-9-CARBOXYLIC ACID (2,2,2-TRIFLUOROETHYL) AMIDE, USED AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN ANTAGONISTS, TO PREVENT ATHEROSCLEROSIS OR HYPERLIPEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-11-23 US disclosed
US-6818644-B1 FLUORENE-9-CARBOXYLIC AMIDES; INHIBITORS OF MICROSOMAL TRIGLYSERIDE-TRANSFER PROTEIN (MTP); ANTILIPEMIC AGENTS; ATHEROSCLEROSIS, DIABETES, EATING DISORDERS, AND PANCREATITIS BOEHRINGER INGELHEIM PHARM GMBH & CO, KG (DE) 2004-11-16 US disclosed
US-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-04 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 (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-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments MTTP, CETP, CPT1A NPC1 10/4885RAB9A 3175/4885HTT 3935/4885

“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.