SCHEMBL507764

SCHEMBL507764

CNCc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ACACB O00763 2/20 0.40
NCF1 P14598 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PPARA Q07869 3/20 0.38
PPARG P37231 1/20 0.38
ADRB2 P07550 1/20 0.37
ELANE P08246 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
CHRM2 P08172 1/20 0.35
HTR7 P34969 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
SCHEMBL197077 0.82 ELANE (0.50) CYP3A4ACACBPPARAPPARGELANE
SCHEMBL26417575 0.82 ALDH1A1 (0.40) KDM4EACACBEPHX2NR1H4PPARA
SCHEMBL178527 0.82 EPHX2 (0.51) LOXL2MAPTEPHX2NR1H4PPARA
SCHEMBL8008090 0.82 LOXL2 (0.44) LOXL2KDM4ECYP3A4MAPTNCF1
Hydrochloric Acid SCHEMBL3397561 0.80 EPHX2 (0.50) KDM4ECYP3A4MAPTEPHX2NR1H4
SCHEMBL2909428 0.80 TAAR1 (0.52) KDM4EMAPTPPARAPPARGALDH1A1
SCHEMBL2090694 0.77 KIF11 (0.49) MAPTEPHX2NR1H4PPARAALDH1A1
SCHEMBL11922720 0.77 CHRM2 (0.46) KDM4ECHRM2
SCHEMBL14805913 0.77 PRMT6 (0.45) KDM4ECYP3A4MAPTNOS3NOS1
SCHEMBL26746 0.76 SLC6A2 (0.44) KDM4ECYP3A4MAPTACACBPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
EP-0064702-B1 4-TERT.-BUTOXYBENZYL AMINES BASF Aktiengesellschaft (DE) 1984-05-02 EP disclosed
EP-0064702-A1 4-Tert.-butoxybenzyl amines BASF Aktiengesellschaft (DE) 1982-11-17 EP 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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A LOXL2 2235/4885KDM4E 623/4885CYP3A4 361/4885

“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.