SCHEMBL5577487

SCHEMBL5577487

N#CC1(c2ncsc2CNC(=O)c2ccc(Cl)cc2)CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 8/20 0.47
CXCR3 P49682 2/20 0.43
GPR183 P32249 1/20 0.42
MCHR1 Q99705 4/20 0.41
KCNH2 Q12809 1/20 0.41
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL5577831 0.88 DRD2 (0.45) PRKAA2GPR183MCHR1KCNH2CYP2D6
SCHEMBL5577323 0.87 KCNH2 (0.46) MCHR1KCNH2
SCHEMBL5577441 0.84 MCHR1 (0.45) PRKAA2CXCR3MCHR1HTR2C
SCHEMBL5577537 0.84 MT-CO2 (0.43) PRKAA2CXCR3CYP2D6
SCHEMBL5577324 0.83 PRKAA2 (0.49) PRKAA2CXCR3GPR183MCHR1CYP2D6
SCHEMBL5577711 0.82 PRKAA2 (0.46) PRKAA2CXCR3GPR183MCHR1CYP2D6
SCHEMBL5577432 0.81 PRKAA2 (0.47) PRKAA2CXCR3MCHR1KCNH2
SCHEMBL5577372 0.80 GPR183 (0.44) PRKAA2GPR183MCHR1HTR2C
SCHEMBL5577660 0.79 CXCR3 (0.48) PRKAA2CXCR3MCHR1CYP2D6CHRM1
SCHEMBL5577349 0.79 CHRM3 (0.52) PRKAA2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C PRKAA2 4492/4885CXCR3 32/4885GPR183 1086/4885

“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.