SCHEMBL19794454

SCHEMBL19794454

CC(C)(C)c1ccnc(-c2ccc(-c3ccncc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
CYP2A6 P11509 1/20 0.38
TGFBR1 P36897 7/20 0.38
RPS6KA3 P51812 5/20 0.38
METAP2 P50579 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 1/20 0.37
PDK2 Q15119 1/20 0.35

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
SCHEMBL18015705 0.91 RPS6KA3 (0.42) CYP2A6RPS6KA3
SCHEMBL18015600 0.91 TRPV1 (0.46) TRPV1ABL1BCRTGFBR1METAP2
SCHEMBL19794448 0.91 TRPV1 (0.46) TRPV1ABL1BCRTGFBR1METAP2
SCHEMBL19794405 0.86 NPC1 (0.40) TRPV1ABL1BCRTGFBR1METAP2
SCHEMBL18015581 0.84 TRPV1 (0.41) TRPV1ABL1BCRTGFBR1METAP2
SCHEMBL21662242 0.84 TRPV1 (0.41) TRPV1ABL1BCRTGFBR1METAP2
SCHEMBL21662369 0.84 TGFBR1 (0.43) TRPV1ABL1BCRTGFBR1METAP2
SCHEMBL19831001 0.83 TRPV1 (0.40) TRPV1ABL1BCRTGFBR1METAP2
SCHEMBL19831193 0.83 TRPV1 (0.40) TRPV1ABL1BCRTGFBR1METAP2
SCHEMBL27344650 0.83 TRPV1 (0.52) TRPV1ABL1BCRCYP2A6TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC TRPV1 1461/4885ABL1 2613/4885BCR 4468/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 TRPV1 1114/4885ABL1 1770/4885BCR 4016/4885

“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.