SCHEMBL3559557

SCHEMBL3559557

Cc1cc(NC(=O)NCCN2CCC(N(C)S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)cc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
APOBEC3A P31941 3/20 0.43
APOBEC3G Q9HC16 3/20 0.43
NAMPT P43490 4/20 0.43
MITF O75030 1/20 0.42
POLB P06746 1/20 0.41
HTR2A P28223 5/20 0.41
HTR2C P28335 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
HTR7 P34969 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3552542 0.92 CA2 (0.39) NAMPTPOLBHTR2AHTR2CALDH1A1
SCHEMBL3568083 0.91 NAMPT (0.44) NAMPTALDH1A1
SCHEMBL3562435 0.91 L3MBTL1 (0.53) L3MBTL1APOBEC3AAPOBEC3GNAMPTMITF
SCHEMBL3563376 0.89 HTR2A (0.51) L3MBTL1APOBEC3AAPOBEC3GNAMPTPOLB
SCHEMBL3565139 0.87 L3MBTL1 (0.59) L3MBTL1APOBEC3AAPOBEC3GNAMPTPOLB
SCHEMBL3561910 0.87 HTR2A (0.51) L3MBTL1APOBEC3AAPOBEC3GNAMPTHTR2A
SCHEMBL3554924 0.87 L3MBTL1 (0.51) L3MBTL1APOBEC3AAPOBEC3GNAMPTHTR2A
SCHEMBL3565549 0.87 HTR2A (0.49) L3MBTL1NAMPTPOLBHTR2AHTR2C
SCHEMBL3560935 0.86 HTR2A (0.53) L3MBTL1APOBEC3AAPOBEC3GNAMPTPOLB
SCHEMBL3565128 0.86 HTR2A (0.53) L3MBTL1APOBEC3AAPOBEC3GNAMPTPOLB

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 4 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
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 L3MBTL1 4878/4885APOBEC3A 4798/4885APOBEC3G 4674/4885

“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.