SCHEMBL14078587

SCHEMBL14078587

CO/N=C(\c1ccc(C)cc1)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CCR5 P51681 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 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
SCHEMBL13392067 1.00 L3MBTL1 (0.47) L3MBTL1ATMNPSR1TSHRALDH1A1
SCHEMBL13391020 0.92 ALDH1A1 (0.44) NPSR1TSHRALDH1A1LMNAKMT2A
SCHEMBL13392020 0.92 PRKAA2 (0.43) TSHRKMT2AMEN1KDM4EPOLB
SCHEMBL14188215 0.92 PRKAA2 (0.47) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL13392079 0.92 PRKAA2 (0.47) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL14077856 0.92 PRKAA2 (0.43) TSHRKMT2AMEN1KDM4EPOLB
SCHEMBL13392059 0.91 KMT2A (0.49) NPSR1TSHRALDH1A1LMNAKMT2A
SCHEMBL14188214 0.91 KMT2A (0.49) NPSR1TSHRALDH1A1LMNAKMT2A
SCHEMBL13392194 0.91 CYP3A4 (0.44) —
SCHEMBL14188233 0.91 CYP3A4 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008108957-A2 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION (US) 2008-09-12 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS HRH2, HRH1, HRH4 L3MBTL1 4809/4885ATM 678/4885NPSR1 65/4885

“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