SCHEMBL298420

SCHEMBL298420

Cc1cc(C)n(Cc2cc(C3=CN(CC(=O)NC4CC4)C=CC3)n(C3CCCCC3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
KCNJ6 P48051 6/20 0.34
KCNJ3 P48549 6/20 0.34
KCNJ5 P48544 4/20 0.34
KMT2A Q03164 2/20 0.34
PDE7A Q13946 2/20 0.33
CRHR1 P34998 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL287148 0.82 ALDH1A1 (0.33) APLNRKCNJ6KCNJ3KCNJ5POLB
SCHEMBL27855104 0.80 APLNR (0.31) APLNRKCNJ6KCNJ3KCNJ5PDE7A
SCHEMBL299982 0.77 CRHR1 (0.35) CRHR1KDM4EALDH1A1PKM
SCHEMBL286895 0.65 SMN1; SMN2 (0.34)
SCHEMBL5373710 0.65 KCNJ6 (0.44) KCNJ6KCNJ3KCNJ5
SCHEMBL661119 0.64 FAAH (0.42)
SCHEMBL661852 0.63 CTNNB1 (0.34) KMT2APOLBKDM4EALDH1A1
SCHEMBL661658 0.62 GRM5 (0.38) TDP1KDM4EALDH1A1
SCHEMBL287649 0.60 GRIN2B (0.38) ALDH1A1
SCHEMBL7810346 0.59 GRIN2B (0.36) KMT2APOLBTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
CN-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN disclosed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 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 (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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT APLNR 707/4885KCNJ6 2854/4885KCNJ3 2948/4885

“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.