SCHEMBL6770337

SCHEMBL6770337

Oc1cccc2ccc(N3CCN(Cc4ccccc4)CC3)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.63
DRD3 P35462 1/20 0.63
DRD4 P21917 3/20 0.59
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 1/20 0.51
SIGMAR1 Q99720 2/20 0.49
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
KDM1A O60341 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 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
SCHEMBL6232404 0.82 KMT2A (0.71) DRD2DRD3DRD4KMT2ASIGMAR1
SCHEMBL6766281 0.79 DRD4 (0.60) DRD2DRD3DRD4ALDH1A1KDM4E
SCHEMBL13902706 0.77 DRD2 (1.00) DRD2DRD3DRD4ALDH1A1HPGD
SCHEMBL12675300 0.76 DRD4 (0.52) DRD2DRD3DRD4ALDH1A1MAPT
SCHEMBL2876563 0.75 DRD4 (1.00) DRD2DRD3DRD4SIGMAR1HTR7
Bromide SCHEMBL11208238 0.74 DRD4 (0.97) DRD2DRD3DRD4SIGMAR1HTR7
SCHEMBL27528198 0.74 KMT2A (0.59) DRD2DRD3DRD4ALDH1A1KDM4E
SCHEMBL10482671 0.74 DRD4 (0.55) DRD2DRD3DRD4ALDH1A1TDP1
SCHEMBL2706321 0.74 DRD4 (0.59) DRD2DRD3DRD4ALDH1A1HPGD
Bromide SCHEMBL27477876 0.73 KMT2A (0.57) DRD2DRD3DRD4ALDH1A1KDM4E

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 4 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-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-04 US disclosed
EP-1255736-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) Boehringer Ingelheim Pharma KG (DE) 2002-11-13 EP disclosed
WO-2001047898-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 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-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments MTTP, CETP, CPT1A DRD2 3337/4885DRD3 2928/4885DRD4 3537/4885

“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.