SCHEMBL6340653

SCHEMBL6340653

O=C(Cc1ccccn1)Nc1cc[c]cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA5A P35218 1/20 0.63
CA7 P43166 1/20 0.63
CA5B Q9Y2D0 1/20 0.63
MAPK1 P28482 1/20 0.52
HTR1A P08908 2/20 0.51
DRD2 P14416 2/20 0.51
GLS O94925 6/20 0.50
CRACR2A Q9BSW2 2/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ROCK2 O75116 1/20 0.46

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
SCHEMBL2028409 0.87 CA1 (0.69) CA1CA2CA5ACA7CA5B
SCHEMBL18546011 0.84 CA1 (0.66) CA1CA2CA5ACA7CA5B
SCHEMBL10576461 0.82 CA1 (0.67) CA1CA2CA5ACA7CA5B
SCHEMBL6491441 0.82 CA1 (0.71) CA1CA2CA5ACA7CA5B
SCHEMBL3453018 0.82 CA1 (0.67) CA1CA2CA5ACA7CA5B
SCHEMBL29765433 0.81 CA1 (0.65) CA1CA2CA5ACA7CA5B
SCHEMBL6622747 0.79 CA1 (0.60) CA1CA2CA5ACA7CA5B
SCHEMBL16248330 0.78 HTR1A (0.63) CA1CA2CA5ACA7CA5B
SCHEMBL6433592 0.77 KMT2A (0.65) CA1CA2CA5ACA7CA5B
SCHEMBL694917 0.76 EPHX2 (0.76) CA1CA2CA5ACA7CA5B

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-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2005-01-20 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 (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-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) CCR5, CCR2, CCL2 CA1 3872/4885CA2 2950/4885CA5A 2637/4885

“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.