SCHEMBL15046641

SCHEMBL15046641

CCc1ccc2c(C)ccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
NOS3 P29474 3/20 0.44
NOS2 P35228 2/20 0.44
NOS1 P29475 2/20 0.44
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
ACVR1 Q04771 1/20 0.40
MST1R Q04912 1/20 0.40
TYRO3 Q06418 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ELANE P08246 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL19506247 0.85 SMN1; SMN2 (0.49) CCR1CCR5CCR8NOS3NOS2
SCHEMBL14423294 0.84 CCR1 (0.44) CCR1CCR5CCR8HTR1AADRA1D
SCHEMBL15219374 0.84 ROCK1 (0.49) CCR1CCR5CCR8NOS3NOS2
SCHEMBL11061990 0.80 TRPA1 (0.47) NOS3NOS2NOS1HTR1AADRA1D
SCHEMBL25689613 0.78 HTR1A (0.42) NOS3NOS2NOS1HTR1AADRA1D
SCHEMBL15268013 0.77 GSK3A (0.48) CCR1NOS3NOS2NOS1HTR1A
SCHEMBL18771929 0.76 CCR1 (0.43) CCR1CCR8NOS3NOS1SMN1; SMN2
SCHEMBL873159 0.76 HTR1A (0.58) CCR1CCR5CCR8NOS3NOS2
SCHEMBL13262215 0.76 HTR1A (0.54) CCR1HTR1AADRA1DADRA1AADRA1B
SCHEMBL24338668 0.76 LOXL2 (0.46) CCR1CCR5CCR8HTR1AADRA1D

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
EP-3498717-A1 COMPOSITION FOR HARDENING SOFT TISSUE The Catholic University of Korea Industry-Academic Cooperation Foundation (KR) 2019-06-19 EP disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 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 (2 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-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CCR1 3580/4885CCR5 3289/4885CCR8 589/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CCR1 3580/4885CCR5 3289/4885CCR8 589/4885

“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.