SCHEMBL3563441

SCHEMBL3563441

CCc1cc(NC(=O)NCCN2CCC(CC)CC2)cc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
CCR3 P51677 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CNR1 P21554 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL3556422 0.88 KDM4E (0.40) KDM4ECNR1POLBMEN1KMT2A
SCHEMBL3557323 0.87 CCR3 (0.60) RAB9ACCR3POLBMEN1KMT2A
SCHEMBL3556275 0.85 MAPK1 (0.47) RAB9APOLBMEN1KMT2ADRD2
SCHEMBL3559283 0.81 RAB9A (0.44) RAB9ACCR3KDM4ECNR1POLB
SCHEMBL3568569 0.81 CCR3 (0.64) CCR3POLBMEN1KMT2A
SCHEMBL3566218 0.80 CCR3 (0.58) RAB9ACCR3POLBMEN1KMT2A
SCHEMBL3563192 0.80 KDM4E (0.46) RAB9AKDM4ECNR1POLBMEN1
SCHEMBL3554952 0.79 KDM4E (0.43) KDM4ECNR1POLBMEN1KMT2A
SCHEMBL301836 0.79 KDM4E (0.45) RAB9AKDM4ECNR1POLBMEN1
SCHEMBL3556286 0.79 KDM4E (0.45) RAB9AKDM4ECNR1POLBMEN1

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 RAB9A 2354/4885CCR3 2602/4885KDM4E 1861/4885

“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.