SCHEMBL3560112

SCHEMBL3560112

Cc1cc(NC(=O)NCCN2CCC(N(C3CC3)S(=O)(=O)c3cccs3)CC2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
ADRA2A P08913 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C19 P33261 2/20 0.38
HTR1A P08908 1/20 0.38
DRD3 P35462 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL3937222 0.91 DRD2 (0.45) UTS2RSMN1; SMN2MAPTDRD2HTR2A
SCHEMBL302023 0.91 MAPT (0.43) UTS2RSMN1; SMN2MAPTCNR1LMNA
SCHEMBL3565154 0.86 UTS2R (0.46) UTS2RMAPTDRD2HTR2AADRA2A
SCHEMBL302022 0.85 CNR1 (0.40) UTS2RSMN1; SMN2MAPTDRD2HTR2A
SCHEMBL3558382 0.84 MEN1 (0.45) UTS2RMAPTDRD2HTR2AADRA2A
SCHEMBL3562248 0.84 CA2 (0.48) UTS2RSMN1; SMN2DRD2HTR2AADRA2A
SCHEMBL3563156 0.83 CCR3 (0.42) UTS2RMAPTDRD2HTR2AADRA2A
SCHEMBL3556333 0.83 HTR2A (0.43) UTS2RMAPTDRD2HTR2AADRA2A
SCHEMBL3561832 0.83 KMT2A (0.42) UTS2RMAPTDRD2HTR2AADRA2A
SCHEMBL3560493 0.83 MAPT (0.43) UTS2RMAPTDRD2HTR2AADRA2A

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 UTS2R 636/4885SMN1; SMN2 3430/4885MAPT 1151/4885

“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.