SCHEMBL3555342

SCHEMBL3555342

CCCc1cc(NC(=O)NCCN2CCC(c3ccccc3)CC2)cc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
DRD3 P35462 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
DRD2 P14416 4/20 0.45
DRD4 P21917 3/20 0.44
HTR1A P08908 2/20 0.44
PRCP P42785 1/20 0.44
MAPT P10636 1/20 0.44
SLC18A3 Q16572 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL3556275 0.93 MAPK1 (0.47) MAPK1DRD3POLBMEN1KMT2A
SCHEMBL3557010 0.90 CARM1 (0.52) MAPK1DRD3POLBMEN1KMT2A
SCHEMBL3566218 0.87 CCR3 (0.58) POLBMEN1KMT2APRMT6HTR1A
SCHEMBL3557323 0.80 CCR3 (0.60) POLBMEN1KMT2AHTR1A
SCHEMBL4853518 0.78 UTS2R (0.67) MAPK1DRD3MEN1KMT2ACARM1
SCHEMBL3556422 0.78 KDM4E (0.40) POLBMEN1KMT2AMAPT
SCHEMBL3563441 0.77 RAB9A (0.42) POLBMEN1KMT2ADRD2DRD4
SCHEMBL27641304 0.77 CCR3 (0.61) MEN1KMT2A
SCHEMBL3557299 0.77 CCR3 (0.67) POLBMEN1KMT2A
SCHEMBL27661919 0.76 CARM1 (0.56) POLBMEN1KMT2ACARM1PRMT6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US 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 MAPK1 912/4885DRD3 235/4885POLB 4709/4885

“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.