SCHEMBL6776065

SCHEMBL6776065

Clc1cccc2nc(N3CCNCC3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.60
ADRB1 P08588 4/20 0.60
HTR3E A5X5Y0 3/20 0.60
HTR3B O95264 3/20 0.60
HTR3D Q70Z44 3/20 0.60
HTR3C Q8WXA8 3/20 0.60
CYP3A4 P08684 3/20 0.60
HSD17B10 Q99714 3/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 2/20 0.60
CYP1A2 P05177 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
HTR1A P08908 2/20 0.60
HTR6 P50406 2/20 0.60
USP2 O75604 1/20 0.60
HTR2C P28335 1/20 0.60
MAPK1 P28482 1/20 0.60
SLC6A4 P31645 1/20 0.60
HTR7 P34969 1/20 0.60
HTT P42858 1/20 0.60

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
SCHEMBL9317924 0.82 HTR3A (0.60) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL5237714 0.78 HTR1A (0.51) HTR3ACYP3A4HSD17B10ALDH1A1KDM4E
SCHEMBL1729604 0.77 HRH3 (0.45) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL6777260 0.77 HTR3E (0.59) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL6771995 0.77 PTPN11 (0.55) HTR3AADRB1HTR3EHTR3BHTR3D
Quipazine SCHEMBL322181 0.76 KDM4E (1.00) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL6769794 0.75 PTPN11 (0.44) HTR3AALDH1A1KDM4ETDP1HTR1A
SCHEMBL6769797 0.75 PTPN11 (0.44) HTR3AALDH1A1KDM4ETDP1HTR1A
Quipazine SCHEMBL4062074 0.74 KDM4E (0.97) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL239521 0.74 P2RX7 (0.48) HTR3AHTR1AMAPT

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 2 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

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 HTR3A 2835/4885ADRB1 110/4885HTR3E 3268/4885

“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.