SCHEMBL14280660

SCHEMBL14280660

Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCC(F)CC3)CC2)cc2cn[nH]c12

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.85
CYP3A4 P08684 9/20 0.85
CYP2D6 P10635 1/20 0.72
RAMP1 O60894 1/20 0.66

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
SCHEMBL14004263 0.94 CALCRL (0.92) CALCRLCYP3A4CYP2D6
SCHEMBL30231967 0.94 CALCRL (0.92) CALCRLCYP3A4CYP2D6
SCHEMBL3763200 0.94 CALCRL (0.92) CALCRLCYP3A4CYP2D6
SCHEMBL13053544 0.92 CALCRL (1.00) CALCRLCYP3A4CYP2D6
SCHEMBL3607829 0.92 CALCRL (1.00) CALCRLCYP3A4CYP2D6
SCHEMBL3768699 0.92 CALCRL (0.86) CALCRLCYP3A4CYP2D6RAMP1
SCHEMBL3754417 0.91 CALCRL (0.92) CALCRLCYP3A4CYP2D6
SCHEMBL30231385 0.90 CALCRL (0.93) CALCRLCYP3A4CYP2D6
SCHEMBL3762519 0.90 CALCRL (0.93) CALCRLCYP3A4CYP2D6
SCHEMBL14526789 0.89 CALCRL (0.79) CALCRLCYP3A4CYP2D6

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
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 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-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL CALCRL 3/4885CYP3A4 3634/4885CYP2D6 3341/4885

“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.