SCHEMBL13391678

SCHEMBL13391678

Cc1ccc(C(=O)C2CCN(C(=O)C3CCN(Cc4ccncc4)CC3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ CYP3A4 P08684 4/20 0.56
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ CYP2D6 P10635 2/20 0.52
▸ MGLL Q99685 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ TSHR P16473 1/20 0.51

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
SCHEMBL13391205 0.90 CYP3A4 (0.61) CYP3A4MEN1KMT2ACYP2D6MGLL
SCHEMBL13391416 0.88 CYP3A4 (0.63) CYP3A4MEN1KMT2ACYP2D6POLB
SCHEMBL14624958 0.86 DRD4 (0.57) L3MBTL1CYP3A4MEN1KMT2ACYP2D6
SCHEMBL14456892 0.83 MEN1 (0.63) L3MBTL1CYP3A4MEN1KMT2ACYP2D6
SCHEMBL14456808 0.81 L3MBTL1 (0.58) L3MBTL1CYP3A4MEN1KMT2AKDM4E
SCHEMBL13003265 0.81 CYP3A4 (0.59) CYP3A4MEN1KMT2ACYP2D6TSHR
SCHEMBL13588422 0.80 MEN1 (0.72) L3MBTL1CYP3A4MEN1KMT2ACYP2D6
SCHEMBL10963541 0.80 KCNH2 (0.73) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL13003532 0.80 CYP3A4 (0.59) CYP3A4MEN1KMT2ACYP2D6TSHR
SCHEMBL14456771 0.79 GRIN2B (0.61) L3MBTL1CYP3A4MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION SECHERING-PLOUGH CORPORATION (US) 2010-04-15 — — US disclosed
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION SECHERING-PLOUGH CORPORATION (US) 2010-04-15 — — US disclosed
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 — — US disclosed
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 — — US disclosed
US-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 — — US disclosed
US-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 — — US disclosed
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — 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-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN GPR119, ATF4, GID4 L3MBTL1 4138/4885CYP3A4 2573/4885MEN1 4556/4885
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS HRH2, HRH1, HRH4 L3MBTL1 4809/4885CYP3A4 938/4885MEN1 4647/4885

“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.

Send feedback