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SCHEMBL68350

SCHEMBL68350

O=C(NCC(=O)N1CCC(Nc2ccccc2Cl)CC1)c1cc(-c2ccccc2F)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ SCD O00767 3/20 0.40
▸ JUN P05412 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ PAK1 Q13153 1/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ KDM5A P29375 2/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ IL2 P60568 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MLNR O43193 1/20 0.37

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
SCHEMBL29385005 1.00 KMT2A (0.41) KMT2ASCDJUNCDK2MAPK8
SCHEMBL29385518 0.91 KMT2A (0.41) KMT2ASCDJUNCDK2MAPK8
SCHEMBL70754 0.91 KMT2A (0.41) KMT2ASCDJUNCDK2MAPK8
SCHEMBL70596 0.89 SCD (0.46) KMT2ASCDJUNCDK2MAPK8
SCHEMBL29385641 0.89 SCD (0.46) KMT2ASCDJUNCDK2MAPK8
SCHEMBL70832 0.88 SCD (0.43) KMT2ASCDJUNCDK2MAPK8
SCHEMBL69930 0.88 SCD (0.43) KMT2ASCDEPHX2KDM5ASMN1; SMN2
SCHEMBL29385122 0.88 SCD (0.43) KMT2ASCDEPHX2KDM5ASMN1; SMN2
SCHEMBL29384497 0.87 KMT2A (0.40) KMT2ASCDPAK1EPHX2KDM5A
SCHEMBL70788 0.87 KMT2A (0.40) KMT2ASCDPAK1EPHX2KDM5A

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
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 — — EP claimed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 — — US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 — — US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 — — EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 — — WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 — — US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 — — 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 KMT2A 1352/4885SCD 1/4885JUN 1645/4885

“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.