SCHEMBL30285362

SCHEMBL30285362

Cc1nc2cc(C[C@@H](NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N3CCC(N4CCCCC4)CC3)ccc2[nH]1

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.90
CYP3A4 P08684 17/20 0.78

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
SCHEMBL3598162 1.00 CALCRL (0.90) CALCRLCYP3A4
SCHEMBL13080917 1.00 CALCRL (0.90) CALCRLCYP3A4
SCHEMBL30231990 0.90 CALCRL (0.75) CALCRLCYP3A4
SCHEMBL3599139 0.90 CALCRL (0.75) CALCRLCYP3A4
SCHEMBL3599128 0.90 CALCRL (0.75) CALCRLCYP3A4
SCHEMBL3597640 0.90 CALCRL (0.72) CALCRLCYP3A4
SCHEMBL3597653 0.90 CALCRL (0.72) CALCRLCYP3A4
SCHEMBL13283563 0.89 CALCRL (0.70) CALCRLCYP3A4
SCHEMBL13081467 0.88 CALCRL (0.83) CALCRLCYP3A4
SCHEMBL3764531 0.88 CALCRL (0.83) CALCRLCYP3A4

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
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 WO claimed
WO-2023034467-A2 CGRP ANTAGONISTS FOR TREATING SKIN CONDITIONS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO claimed
US-20240366618-A1 CGRP Antagonists for Treating Trigeminal Neuralgia PFIZER IRELAND PHARMACEUTICALS (IE) 2024-11-07 US disclosed
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 WO disclosed
WO-2023034467-A2 CGRP ANTAGONISTS FOR TREATING SKIN CONDITIONS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO 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-20240366618-A1 CGRP Antagonists for Treating Trigeminal Neuralgia OPRL1, CALCRL, CALCR CALCRL 2/4885CYP3A4 4474/4885

“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.