SCHEMBL3560352

SCHEMBL3560352

CCc1cc(NC(=O)NCCN2CCC(N(CC)S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
DRD2 P14416 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
NAMPT P43490 2/20 0.40
AVPR1B P47901 1/20 0.40
QPCT Q16769 4/20 0.40
TP53 P04637 1/20 0.40
EP300 Q09472 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL3560037 0.95 SMN1; SMN2 (0.46) SMN1; SMN2TSHRHTTTDP1NPSR1
SCHEMBL3556764 0.91 RXFP1 (0.44) SMN1; SMN2NAMPTAVPR1BTP53MAPK1
SCHEMBL3564450 0.89 HTR2A (0.43) NAMPTAVPR1BTP53
SCHEMBL3560035 0.88 NAMPT (0.44) NAMPT
SCHEMBL3561205 0.88 NAMPT (0.44) SMN1; SMN2TSHRNPSR1NAMPTTP53
SCHEMBL3559686 0.87 TSHR (0.43) SMN1; SMN2TSHRNPSR1DRD2TP53
SCHEMBL3558596 0.86 RXFP1 (0.47) SMN1; SMN2TSHRNAMPTAVPR1BTP53
SCHEMBL3555655 0.86 L3MBTL1 (0.45) SMN1; SMN2HTTNPSR1NAMPTQPCT
SCHEMBL3564132 0.86 RXFP1 (0.42) SMN1; SMN2NAMPTAVPR1BMAPK1
SCHEMBL3560963 0.85 NAMPT (0.46) SMN1; SMN2TSHRNAMPTAVPR1BTP53

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-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US claimed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP claimed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US claimed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 SMN1; SMN2 3430/4885TSHR 1285/4885HTT 1624/4885

“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.