SCHEMBL3075607

SCHEMBL3075607

CNCCc1ccc(Cl)c(C(C)(C)O[SiH2]C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42
HTR6 P50406 1/20 0.42
SIGMAR1 Q99720 4/20 0.42
TAAR1 Q96RJ0 7/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3085748 0.87 HTR1A (0.44) HTR1AHTR1DHTR1BHTR2AHTR1E
SCHEMBL3093509 0.86 HTR7 (0.41) HTR1AHTR1DHTR1BHTR2AHTR1E
SCHEMBL1751173 0.84 SIGMAR1 (0.38) SIGMAR1POLBTSHRMAPK1KDM4E
SCHEMBL1750509 0.84 KDM4E (0.46) MAPTHIF1AHSD17B10KDM4EALDH1A1
SCHEMBL3089010 0.84 TSHR (0.43) MAPTTSHRMAPK1ALDH1A1LMNA
SCHEMBL1751078 0.83 TAAR1 (0.47) HTR1ASIGMAR1TAAR1ATMMAPT
SCHEMBL1751380 0.83 TRPV1 (0.36) SIGMAR1TAAR1MAPTTP53CYP1A2
SCHEMBL1751846 0.80 CSNK2A1 (0.39) TAAR1PYCR1
SCHEMBL3074352 0.79 TRPV1 (0.40) MAPTALDH1A1LMNA
SCHEMBL3092964 0.78 HTR1A (0.43) HTR1AHTR1DHTR1BHTR2AHTR1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 US disclosed
US-7799805-B2 Piperidine carboxylic acid amide derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-21 US disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US disclosed
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 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-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 HTR1A 3090/4885HTR1D 2095/4885HTR1B 2416/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 HTR1A 1917/4885HTR1D 1188/4885HTR1B 1250/4885

“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.