SCHEMBL14280316

SCHEMBL14280316

Fc1ccc(C(OCCCCc2c[nH]cn2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
NFKB1 P19838 2/20 0.48
CYP2C19 P33261 2/20 0.48
THPO P40225 2/20 0.48
RAB9A P51151 2/20 0.48
HIF1A Q16665 2/20 0.48
SLC6A4 P31645 8/20 0.47
SLC6A3 Q01959 8/20 0.47
SLC6A2 P23975 5/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
BLM P54132 2/20 0.47
PMP22 Q01453 2/20 0.47
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL7987762 0.96 MAPK1 (0.52) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1319549 0.91 MAPK1 (0.56) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4378225 0.88 HRH4 (0.55) MAPK1CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9122689 0.81 CYP19A1 (0.56) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9728037 0.80 CYP19A1 (0.55) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL14414196 0.76 SLC6A4 (0.49) CYP2D6CYP2C9CYP2C19SLC6A4SLC6A3
SCHEMBL9119601 0.76 CYP19A1 (0.54) MAPK1CYP3A4CYP2D6RAB9ATSHR
SCHEMBL9728051 0.76 CYP19A1 (0.51) MEN1KMT2A
SCHEMBL9771022 0.75 SIGMAR1 (0.43) MAPK1CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL4382483 0.75 CYP19A1 (0.40) SLC6A4SLC6A3MEN1KMT2A

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-20080027087-A1 CB1 antagonists and inverse agonists AMPLA PHARMACEUTICALS, INC. (US) 2008-01-31 US disclosed
US-20080027087-A1 CB1 antagonists and inverse agonists AMPLA PHARMACEUTICALS, INC. (US) 2008-01-31 US disclosed
WO-2007102999-A2 CB1 ANTAGONISTS AND INVERSE AGONISTS AMPLA PHARMACEUTICALS INC. (US) 2007-09-13 WO 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-20080027087-A1 CB1 antagonists and inverse agonists CNR2, CNR1, GPR119 MAPK1 2278/4885CYP1A2 1745/4885CYP3A4 3086/4885

“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.