SCHEMBL4870194

SCHEMBL4870194

Cc1cccc(NC(=O)OC(C)(C)C)c1CCO

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.49
LCK P06239 4/20 0.42
RXFP1 Q9HBX9 1/20 0.41
P2RX7 Q99572 1/20 0.40
NLRP3 Q96P20 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
METAP1 P53582 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
BRD4 O60885 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL9686985 0.89 LCK (0.43) LCKRXFP1P2RX7NLRP3BRD9
SCHEMBL6384294 0.84 LCK (0.43) LCKRXFP1P2RX7NLRP3BRD9
SCHEMBL4846500 0.84 KMT2A (0.43) RXFP1ALDH1A1METAP1LMNA
SCHEMBL16998375 0.81 TRPV1 (0.52) TRPV1NPC1RAB9ALMNAPOLB
SCHEMBL21681358 0.80 LCK (0.46) LCKRXFP1P2RX7BRD9ALDH1A1
SCHEMBL1534089 0.79 NPC1 (0.58) RXFP1BRD9NPC1RAB9AALDH1A1
SCHEMBL1772002 0.78 LMNA (0.47) TRPV1RXFP1BRD9ALDH1A1METAP1
SCHEMBL13879769 0.78 TRPV1 (0.51) TRPV1NPC1RAB9AALDH1A1POLB
SCHEMBL28205401 0.77 POLB (0.39) RXFP1BRD9ALDH1A1METAP1LMNA
SCHEMBL9685813 0.77 LCK (0.45) LCKRXFP1NLRP3BRD9NPC1

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-7323487-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2008-01-29 US disclosed
US-20070099981-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2007-05-03 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-20070099981-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A TRPV1 266/4885LCK 4735/4885RXFP1 199/4885

“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.