SCHEMBL3079729

SCHEMBL3079729

Cc1cccc(CC2(N)CC2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TAAR1 Q96RJ0 1/20 0.35
CD44 P16070 1/20 0.34
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
COMT P21964 1/20 0.33
SLC6A4 P31645 3/20 0.31
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31

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
SCHEMBL1824872 0.84 MAOA (0.52) MAOAMAOBTAAR1ALDH1A1
Hydrochloric Acid SCHEMBL12813543 0.82 MAOA (0.50) MAOAMAOBTAAR1MAPTALDH1A1
SCHEMBL736963 0.81 ALDH1A1 (0.42) MAOAMAOBTAAR1MAPTSLC6A4
SCHEMBL1824827 0.78 MAOA (0.48) MAOAMAOBTAAR1CD44ALDH1A1
Formic Acid SCHEMBL5135725 0.75 MAOA (0.43) MAOAMAOBTAAR1GAAALDH1A1
SCHEMBL8761076 0.73 LMNA (0.46) MAOAMAOBTAAR1HTR2CHTR2B
SCHEMBL15997 0.70 TAAR1 (0.48) ESR1ESR2TAAR1CD44TRPA1
SCHEMBL30231281 0.69 ESR1 (0.47) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL6547407 0.69 ESR1 (0.47) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL3306785 0.69 ESR1 (0.47) ESR1ESR2TAAR1TRPA1ATM

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 6 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-2007034406-A1 PYRROLIDINE-3-CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF RENIN ACTELION PHARMACEUTICALS LTD (CH) 2007-03-29 WO 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 MAOA 1008/4885MAOB 1305/4885ESR1 3506/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 MAOA 336/4885MAOB 428/4885ESR1 3439/4885

“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.