SCHEMBL3089000

SCHEMBL3089000

Cc1cccc(CN(C(=O)C2CN(C(=O)OC(C)(C)C)CCC2c2ccc(CCCO)cc2)C2CC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.42
TACR1 P25103 3/20 0.42
CYP3A4 P08684 2/20 0.42
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 4/20 0.37
KCNH2 Q12809 2/20 0.35
HSD11B1 P28845 1/20 0.35
USP30 Q70CQ3 1/20 0.34
NR1H2 P55055 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL3096286 0.92 TACR1 (0.40) RENTACR1CYP3A4JAK2JAK1
SCHEMBL3088604 0.89 REN (0.40) RENTACR1CYP3A4JAK2JAK1
SCHEMBL10183402 0.84 TACR1 (0.44) RENTACR1CYP3A4JAK2JAK1
SCHEMBL10183689 0.84 TACR1 (0.43) RENTACR1CYP3A4JAK2JAK1
SCHEMBL8264309 0.83 TACR1 (0.45) RENTACR1CYP3A4JAK2JAK1
SCHEMBL13576859 0.83 TACR1 (0.45) RENTACR1CYP3A4JAK2JAK1
SCHEMBL8264188 0.83 TACR1 (0.46) RENTACR1CYP3A4JAK2JAK1
SCHEMBL3081058 0.82 REN (0.39) RENTACR1CYP3A4KCNH2USP30
SCHEMBL8265387 0.82 TACR1 (0.42) RENTACR1CYP3A4JAK2JAK1
SCHEMBL8265069 0.81 TACR1 (0.41) RENTACR1CYP3A4JAK2JAK1

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 REN 1/4885TACR1 142/4885CYP3A4 709/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 REN 1/4885TACR1 53/4885CYP3A4 676/4885

“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.