SCHEMBL3095986

SCHEMBL3095986

NC(=O)C1(Cc2cc(CNCCF)ccc2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
REN P00797 1/20 0.35
CYP3A4 P08684 1/20 0.35
PARP1 P09874 1/20 0.34
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
P4HB P07237 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL3081027 0.85 HSD11B1 (0.39) HSD11B1KDM4EALDH1A1RENCYP3A4
SCHEMBL2635159 0.85 HSD11B1 (0.37) HSD11B1KDM4EALDH1A1RENCYP3A4
SCHEMBL3093508 0.83 PRMT5 (0.47) CYP2D6CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL3093697 0.83 SLC6A4 (0.44) HSD11B1PARP1OPRM1OPRL1TSHR
SCHEMBL2635474 0.81 TSHR (0.42) HSD11B1KDM4EALDH1A1KMT2ATSHR
SCHEMBL2635103 0.80 MEN1 (0.38) HSD11B1RENOPRM1OPRL1MEN1
SCHEMBL3086063 0.79 HTR1A (0.40) HSD11B1RENCYP3A4MEN1KMT2A
SCHEMBL2635822 0.79 TSHR (0.40) HSD11B1ALDH1A1RENTSHR
SCHEMBL2635811 0.78 REN (0.37) HSD11B1RENOPRM1OPRL1MEN1
SCHEMBL2636015 0.78 HSD11B1 (0.40) HSD11B1RENCYP3A4MEN1KMT2A

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 9 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 claimed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US claimed
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP claimed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 WO claimed
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 HSD11B1 3856/4885KDM4E 1024/4885ALDH1A1 387/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 HSD11B1 3674/4885KDM4E 853/4885ALDH1A1 313/4885

“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.