SCHEMBL21152292

SCHEMBL21152292

CCCCCC(C)c1cn(C(C)C)nn1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.35
GPR84 Q9NQS5 1/20 0.33
OPRM1 P35372 1/20 0.31
IDO1 P14902 1/20 0.31
KDR P35968 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL21285324 0.88 IDO1 (0.33) CYP19A1IDO1
SCHEMBL21480920 0.86 IDO1 (0.35) IDO1
SCHEMBL18790863 0.80 IDO1 (0.34) CYP19A1IDO1
SCHEMBL14023217 0.80 GPR84 (0.35) CYP19A1GPR84
SCHEMBL24849931 0.79 CYP19A1 (0.35) CYP19A1GPR84
SCHEMBL21953543 0.75 CYP19A1 (0.38) CYP19A1GPR84KDRALDH1A1CYP2C19
SCHEMBL24837415 0.74 NOTUM (0.32) IDO1
SCHEMBL23553779 0.73 ACHE (0.33) IDO1
SCHEMBL23192059 0.72 IDO1 (0.32) IDO1
SCHEMBL19705751 0.72 CYP19A1 (0.61) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254705-B2 Cyclic peptide analogs and conjugates thereof SIRENAS LLC (US) 2022-02-22 US disclosed
US-20190211060-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF SIRENAS LLC (US) 2019-07-11 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-20190211060-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF VIP, NGLY1, GRPR CYP19A1 1525/4885GPR84 1082/4885OPRM1 2150/4885
US-11254705-B2 Cyclic peptide analogs and conjugates thereof VIP, NGLY1, GRPR CYP19A1 1525/4885GPR84 1082/4885OPRM1 2150/4885

“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.