SCHEMBL3557972

SCHEMBL3557972

Cc1cc(NC(=O)NCCN2CCC(Cc3ccccc3)CC2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 12/20 0.65
HTR2A P28223 3/20 0.60
MEN1 O00255 1/20 0.58
POLB P06746 1/20 0.58
KMT2A Q03164 1/20 0.58
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 1/20 0.54
RAB9A P51151 1/20 0.53
SLC6A4 P31645 1/20 0.53

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
SCHEMBL3557299 0.89 CCR3 (0.67) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL4861307 0.89 CCR3 (0.62) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL6198672 0.88 CCR3 (0.62) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL6198280 0.86 CCR3 (0.61) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL6195682 0.86 CCR3 (0.57) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL6195675 0.85 CCR3 (0.60) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL4862935 0.85 CCR3 (0.59) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL3557999 0.84 FAAH (0.53) CCR3HTR2AMEN1KMT2A
SCHEMBL3557323 0.84 CCR3 (0.60) CCR3HTR2AMEN1POLBKMT2A
SCHEMBL3566218 0.82 CCR3 (0.58) CCR3HTR2AMEN1POLBKMT2A

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 8 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-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
CN-1856305-B Pyridine derivatives as urotensin II antagonists ACTELION PHARMACEUTICALS LTD 2010-04-28 CN disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
CN-1856305-A Pyridine derivatives and their use as urotensin II antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-11-01 CN 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 CCR3 2602/4885HTR2A 119/4885MEN1 1845/4885

“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.