SCHEMBL21662377

SCHEMBL21662377

CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cn5)cc4)c3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
TGFBR1 P36897 4/20 0.37
HPGDS O60760 2/20 0.36
METAP2 P50579 1/20 0.36
TOP1 P11387 1/20 0.35
KDR P35968 1/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CHEK2 O96017 1/20 0.35
HIF1A Q16665 1/20 0.35
NPC1 O15118 1/20 0.34
GRM5 P41594 2/20 0.34
DHODH Q02127 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21662276 0.91 TRPV1 (0.39) TRPV1ABL1BCRTGFBR1HPGDS
SCHEMBL18015600 0.86 TRPV1 (0.46) TRPV1ABL1BCRTGFBR1METAP2
SCHEMBL19794448 0.86 TRPV1 (0.46) TRPV1ABL1BCRTGFBR1METAP2
SCHEMBL19933668 0.85 TRPV1 (0.41) TRPV1ABL1BCRCHEK2NPC1
SCHEMBL19833696 0.85 HPGDS (0.35) TRPV1HPGDSDHODHLMNAMAPT
SCHEMBL19833583 0.85 HPGDS (0.35) TRPV1HPGDSDHODHLMNAMAPT
SCHEMBL21662369 0.84 TGFBR1 (0.43) TRPV1ABL1BCRTGFBR1METAP2
SCHEMBL19794513 0.84 MEN1 (0.40) TRPV1ABL1BCRHPGDSTOP1
SCHEMBL21721907 0.84 MEN1 (0.38) TRPV1ABL1BCRTGFBR1HPGDS
SCHEMBL19831193 0.83 TRPV1 (0.40) TRPV1ABL1BCRTGFBR1METAP2

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
EP-3601257-B1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
US-20200039903-A1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2020-02-06 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-20200039903-A1 AROMATIC COMPOUNDS PAH, ALG3, DDC TRPV1 359/4885ABL1 333/4885BCR 3927/4885

“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.