SCHEMBL10200847

SCHEMBL10200847

Cc1nsc2c(C)ccnc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
PSMD14 O00487 1/20 0.36
COPS5 Q92905 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
CYP17A1 P05093 2/20 0.32
CYP1A2 P05177 1/20 0.32
GRM4 Q14833 1/20 0.31
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL21101382 0.78 CCR1 (0.52) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL29779690 0.76 CCR1 (0.38) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL12203219 0.69 CCR1 (0.65) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL24122137 0.68 CCR1 (0.46) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL14980112 0.68 CYP2A6 (0.38) CCR1CCR5CCR8CYP1A2
SCHEMBL14980103 0.68 PDPK1 (0.47) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL12615647 0.68
SCHEMBL16417534 0.67 GRM4 (0.30) CCR1CCR5CCR8GRM4
SCHEMBL16919865 0.67 LIMK1 (0.56) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL19039387 0.67 PSMD14 (0.49) CCR1CCR5CCR8PSMD14COPS5

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
WO-2021254493-A1 CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2021-12-23 WO disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20120030841-A1 Isoxazoline compounds for combating invertebrate pests BASF SE (DE) 2012-02-02 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 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-20120030841-A1 Isoxazoline compounds for combating invertebrate pests PRDX5, PRDX1, PRDX2 CCR1 4384/4885CCR5 3366/4885CCR8 4467/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CCR1 4808/4885CCR5 4183/4885CCR8 4851/4885

“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.