SCHEMBL15470587

SCHEMBL15470587

Cc1cc(C)nc(-c2cccc(C)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.70
CCR8 P51685 1/20 0.70
METAP2 P50579 1/20 0.48
TGFBR1 P36897 6/20 0.45
CYP2A6 P11509 1/20 0.44
NOS3 P29474 3/20 0.41
NOS2 P35228 3/20 0.41
NOS1 P29475 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE10A Q9Y233 1/20 0.37
THRB P10828 1/20 0.37
GRM5 P41594 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
SCHEMBL26751431 0.93 CCR1 (0.73) CCR1CCR8METAP2TGFBR1CYP2A6
SCHEMBL3027281 0.84 CCR1 (0.55) CCR1CCR8TGFBR1NOS3NOS2
SCHEMBL196966 0.83 CCR1 (1.00) CCR1CCR8METAP2TGFBR1CYP2A6
SCHEMBL30511194 0.83 CCR1 (1.00) CCR1CCR8METAP2TGFBR1CYP2A6
SCHEMBL29388304 0.83 CCR1 (1.00) CCR1CCR8METAP2TGFBR1CYP2A6
SCHEMBL3084862 0.83 NOS3 (0.55) CCR1CCR8NOS3NOS2NOS1
SCHEMBL29648194 0.83 NOS3 (0.55) CCR1CCR8NOS3NOS2NOS1
SCHEMBL29751933 0.81 CCR1 (0.94) CCR1CCR8METAP2TGFBR1CYP2A6
SCHEMBL22854565 0.81 NOS3 (0.52) CCR1CCR8NOS3NOS2NOS1
SCHEMBL20557390 0.81 CCR1 (0.94) CCR1CCR8METAP2TGFBR1CYP2A6

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-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2018-08-09 US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 CCR1 202/4885CCR8 831/4885METAP2 374/4885
US-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, SLC47A1, ABCB1 CCR1 2384/4885CCR8 2508/4885METAP2 4127/4885

“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.