SCHEMBL7552913

SCHEMBL7552913

O=C(OCc1ccccc1)N1CCN2CCC1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 3/20 0.63
▸ HTR3A P46098 1/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ CHRNA3 P32297 1/20 0.53
▸ CYP2C19 P33261 1/20 0.52

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
SCHEMBL5914679 0.82 CHRNA7 (0.74) CHRNA7HTR3ACHRNA3
SCHEMBL30793887 0.79 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30793442 0.79 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30793073 0.79 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2911279 0.79 CHRNA7 (0.78) CHRNA7HTR3ACHRNA3
SCHEMBL7559030 0.78 CHRNA7 (1.00) CHRNA7HTR3ACHRNA3
SCHEMBL30251765 0.78 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5517077 0.77 HTR2C (0.64) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5517082 0.77 HTR2C (0.64) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10053573 0.77 HTR2C (0.64) SMN1; SMN2NPC1RAB9ACYP2C19

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-20020177591-A1 Pharmaceutical compositions for the treatment of CNS and other discorders PFIZER INC. 2002-11-28 — — 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-20020177591-A1 Pharmaceutical compositions for the treatment of CNS and other discorders CHRNA7, CHRNA5, CHRNA10 CHRNA7 1/4885HTR3A 98/4885SMN1; SMN2 154/4885

“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.

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