SCHEMBL6770901

SCHEMBL6770901

Cn1c(N2CCNCC2)nc2cccnc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.56
HTR3A P46098 3/20 0.56
HTR3E A5X5Y0 2/20 0.56
HTR3B O95264 2/20 0.56
HTR1A P08908 2/20 0.56
HTR3D Q70Z44 2/20 0.56
HTR3C Q8WXA8 2/20 0.56
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
TP53 P04637 1/20 0.44
PLD1 Q13393 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL12354287 0.82 HTR3A (0.50) HTR2CHTR3AHTR3EHTR3BHTR1A
SCHEMBL12354292 0.82 HTR3A (0.50) HTR2CHTR3AHTR3EHTR3BHTR1A
SCHEMBL2709699 0.78 HTR3A (0.63) HTR3A
Hydrochloric Acid SCHEMBL29689100 0.77 HTR3A (0.62) HTR3A
SCHEMBL2244026 0.76 HTR3E (0.61) HTR2CHTR3AHTR3EHTR3BHTR1A
SCHEMBL12354270 0.75 HTR3E (0.52) HTR2CHTR3AHTR3EHTR3BHTR1A
SCHEMBL6777038 0.73 HTR3A (0.58) HTR3A
SCHEMBL12354244 0.73 USP2 (0.53) HTR2CHTR3AHTR3EHTR3BHTR1A
SCHEMBL22442334 0.72 KDM4E (0.51) HTR3AKDM4EALDH1A1
SCHEMBL9760764 0.72 HTR3A (0.63) HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994173-B2 2-piperazin-1-yl-3H-imidazo[4,5-b]pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-09 US disclosed
US-7994173-B2 2-piperazin-1-yl-3H-imidazo[4,5-b]pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-09 US disclosed
US-20100004260-A1 2-PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
US-20100004260-A1 2-PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
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 (2 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 HTR2C 3335/4885HTR3A 2835/4885HTR3E 3268/4885
US-20100004260-A1 2-PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES PDE3A, PDE3B, PTGIS HTR2C 252/4885HTR3A 326/4885HTR3E 576/4885

“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.