SCHEMBL1413616

SCHEMBL1413616

O=C1c2ccccc2C(=O)N1CC1CNC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ACHE P22303 1/20 0.45
CYP1B1 Q16678 4/20 0.44
ALDH1A1 P00352 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
GLS O94925 1/20 0.43
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL8221682 0.86 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19ACHECYP1B1
SCHEMBL23581881 0.84 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19CYP1B1HTR2B
SCHEMBL21605952 0.84 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19CYP1B1HTR2B
SCHEMBL8268236 0.84 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19CYP1B1HTR2B
SCHEMBL14528285 0.82 CYP1B1 (0.48) CYP1A2CYP2C9CYP2C19ACHECYP1B1
Hydrochloric Acid SCHEMBL28632936 0.82 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19CYP1B1HTR2B
SCHEMBL1581709 0.82 CYP1B1 (0.59) CYP1A2CYP2C9CYP2C19ACHECYP1B1
SCHEMBL4294530 0.82 ALDH1A1 (0.39) CYP1A2CYP2C9CYP2C19ACHECYP1B1
SCHEMBL4294532 0.82 ALDH1A1 (0.39) CYP1A2CYP2C9CYP2C19ACHECYP1B1
SCHEMBL4294531 0.82 ALDH1A1 (0.39) CYP1A2CYP2C9CYP2C19ACHECYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 CYP1A2 2217/4885CYP2C9 2143/4885CYP2C19 1681/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG CYP1A2 2328/4885CYP2C9 2079/4885CYP2C19 1579/4885

“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.