SCHEMBL3787852

SCHEMBL3787852

O=C1Cc2ccc(CN3CCC(CC4CC4)(C(=O)NCc4cncc(C(F)(F)F)c4)C3)cc2N1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.37
GLS O94925 3/20 0.35
CRBN Q96SW2 1/20 0.35
PARP14 Q460N5 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
METAP2 P50579 1/20 0.34
KCNH2 Q12809 3/20 0.33
NPY2R P49146 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
ACKR3 P25106 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL3791058 0.92 CCR2 (0.44) CCR2CRBNMETAP2KCNH2
SCHEMBL3776521 0.88 PARP1 (0.44) KCNH2TSHR
SCHEMBL3785872 0.85 CCR2 (0.38) CCR2GLSGAASMN1; SMN2KCNH2
SCHEMBL3781517 0.83 DRD4 (0.46) CCR2METAP2
SCHEMBL4128765 0.82 CCR2 (0.38) CCR2GLSGAASMN1; SMN2KCNH2
SCHEMBL3784437 0.82 CCR2 (0.35) CCR2GLSGAASMN1; SMN2KCNH2
SCHEMBL3786528 0.81 WNT1 (0.40) CCR2GLSKCNH2
SCHEMBL3782902 0.81 KCNH2 (0.39) CCR2GLSGAASMN1; SMN2KCNH2
SCHEMBL3028961 0.81 CCR2 (0.37) CCR2GLSGAASMN1; SMN2KCNH2
SCHEMBL3786892 0.80 CCR2 (0.36) CCR2GLSGAASMN1; SMN2KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US claimed

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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 CCR2 1/4885GLS 922/4885CRBN 2475/4885

“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.