SCHEMBL3564358

SCHEMBL3564358

Cc1cc(NC(=O)NCCN2CCC(N(C)S(=O)(=O)c3cccc(F)c3)CC2)cc(C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.55
HTR2C P28335 3/20 0.55
HTR1A P08908 4/20 0.50
DRD2 P14416 4/20 0.50
HTR7 P34969 3/20 0.50
CCR3 P51677 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NAMPT P43490 1/20 0.40
DRD4 P21917 1/20 0.40
KCNH2 Q12809 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
SCHEMBL3554219 0.92 CCR3 (0.45) HTR2AHTR2CHTR1ADRD2HTR7
SCHEMBL3564913 0.91 HTR2A (0.55) HTR2AHTR2CHTR1ADRD2HTR7
SCHEMBL3561109 0.91 CCR3 (0.44) HTR2AHTR2CHTR1ADRD2HTR7
SCHEMBL3561910 0.91 HTR2A (0.51) HTR2AHTR2CHTR1ADRD2HTR7
SCHEMBL3565549 0.90 HTR2A (0.49) HTR2AHTR2CHTR1ADRD2HTR7
SCHEMBL3568131 0.90 CACNA1B (0.49) HTR2AHTR2CHTR1ADRD2HTR7
SCHEMBL3564316 0.90 HTR2A (0.55) HTR2AHTR2CL3MBTL1ALDH1A1LMNA
SCHEMBL3568175 0.89 L3MBTL1 (0.43) HTR2AHTR2CCCR3L3MBTL1ALDH1A1
SCHEMBL3568137 0.88 HTR2A (0.46) HTR2AHTR2CCCR3L3MBTL1ALDH1A1
SCHEMBL3557404 0.88 CCR3 (0.42) HTR2ACCR3ALDH1A1LMNAPOLB

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 HTR2A 119/4885HTR2C 92/4885HTR1A 79/4885

“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.