SCHEMBL3554924

SCHEMBL3554924

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
CNR1 P21554 3/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.46
NAMPT P43490 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
APOBEC3A P31941 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
LSS P48449 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3563376 0.93 HTR2A (0.51) L3MBTL1HTR2AHTR2CCA1CA2
SCHEMBL3562364 0.91 L3MBTL1 (0.43) L3MBTL1HTR2AHTR2CCNR1CA1
SCHEMBL3561910 0.91 HTR2A (0.51) L3MBTL1HTR2AHTR2CCA1CA2
SCHEMBL3564369 0.91 CNR1 (0.48) CNR1CA1CA2MAPTTP53
SCHEMBL3565139 0.91 L3MBTL1 (0.59) L3MBTL1CA1CA2NAMPTSMN1; SMN2
SCHEMBL3565549 0.91 HTR2A (0.49) L3MBTL1HTR2AHTR2CCA1CA2
SCHEMBL3564316 0.91 HTR2A (0.55) L3MBTL1HTR2AHTR2CCNR1MAPT
SCHEMBL3565680 0.90 CNR1 (0.48) CNR1CA1CA2MAPTTP53
SCHEMBL3560935 0.90 HTR2A (0.53) L3MBTL1HTR2AHTR2CCA1CA2
SCHEMBL3568175 0.90 L3MBTL1 (0.43) L3MBTL1HTR2AHTR2CCA1CA2

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 4878/4885HTR2A 119/4885HTR2C 92/4885

“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.