SCHEMBL718533

SCHEMBL718533

CCCCCCC(=O)c1cc2cc(Cl)ccc2n1C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
OXER1 Q8TDS5 3/20 0.50
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
PHGDH O43175 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
AHR P35869 1/20 0.46
GSK3B P49841 2/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44

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
SCHEMBL2643465 0.78 RXFP1 (0.60) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL3593923 0.76 RXFP1 (0.54) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL9040651 0.75 PSEN1 (0.47) OXER1HDAC1
SCHEMBL17324809 0.75 RXFP1 (0.64) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL43328 0.75 KDM4E (0.66) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL2643531 0.75 CCR2 (0.59)
SCHEMBL721418 0.75 GCGR (0.57)
SCHEMBL13415456 0.74 RXFP1 (0.62) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL1253237 0.74 RXFP1 (0.56) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL23112798 0.73 HSD17B3 (0.55) HDAC1

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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed
US-7598398-B2 Acyl indoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-04-19 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 (3 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RXFP1 3336/4885OXER1 2109/4885HDAC3 135/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RXFP1 3336/4885OXER1 2109/4885HDAC3 135/4885
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use GPR119, IAPP, GLP1R RXFP1 298/4885OXER1 1021/4885HDAC3 201/4885

“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.