SCHEMBL6776973

SCHEMBL6776973

CCOc1cccc2ccc(N3CCNCC3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
HTR1A P08908 4/20 0.47
HTR7 P34969 3/20 0.47
ADRB1 P08588 3/20 0.47
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
HTR6 P50406 4/20 0.45
KHK P50053 1/20 0.44
SOS1 Q07889 1/20 0.43
HTR2B P41595 2/20 0.43
DRD2 P14416 1/20 0.43
HTR2C P28335 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
SCHEMBL6766281 0.79 DRD4 (0.60) HTR1AHTR1DHTR1BDRD2
SCHEMBL28291142 0.76 HTR3E (0.63) HTR5AHTR3EHTR3BHTR3AHTR3D
SCHEMBL6922833 0.76 ADRB1 (0.69) HTR5AHTR3EHTR3BHTR3AHTR3D
SCHEMBL1599427 0.75 CHRNB2 (0.49) HTR5AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8106637 0.75 CHRNB2 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11295851 0.75 CHRNB2 (0.52) HTR5AHTR3EHTR3BHTR3AHTR3D
SCHEMBL2876111 0.75 ADRB1 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL1639434 0.74 ADRB1 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5371603 0.72 DRD2 (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
Bromoethane SCHEMBL8198933 0.72 ADRB1 (0.63) HTR5AHTR3EHTR3BHTR3AHTR3D

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 HTR5A 2352/4885HTR3E 3268/4885HTR3B 3245/4885

“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.