SCHEMBL2276192

SCHEMBL2276192

CC(=O)NCCC(=O)N[C@H](CO)Cc1cnc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.56
▸ QPCTL Q9NXS2 1/20 0.56
▸ FAAH O00519 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ EPHX2 P34913 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SLC7A5 Q01650 1/20 0.41
▸ NLN Q9BYT8 2/20 0.40

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
SCHEMBL2177294 0.89 FAAH (0.50) QPCTQPCTLFAAHCNR1CNR2
SCHEMBL2199277 0.88 FAAH (0.47) QPCTQPCTLFAAHCNR1CNR2
SCHEMBL27675779 0.83 EPHX2 (0.60) QPCTQPCTLEPHX2CYP3A4CYP2D6
SCHEMBL29615190 0.83 EPHX2 (0.60) QPCTQPCTLEPHX2CYP3A4CYP2D6
SCHEMBL3057446 0.83 EPHX2 (0.60) QPCTQPCTLEPHX2CYP3A4CYP2D6
SCHEMBL14152015 0.82 CYP3A4 (0.56) FAAHCNR1CNR2CYP3A4CYP2D6
SCHEMBL2178184 0.82 CYP3A4 (0.56) FAAHCNR1CNR2CYP3A4CYP2D6
SCHEMBL2195381 0.82 CYP3A4 (0.56) FAAHCNR1CNR2CYP3A4CYP2D6
SCHEMBL23787478 0.81 QPCT (0.53) QPCTQPCTLFAAHCNR1CNR2
SCHEMBL23787348 0.81 QPCT (0.53) QPCTQPCTLEPHX2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623900-B2 Amino alcohol derivatives and their therapeutic activities FLAMMA S.P.A. (IT) 2014-01-07 — — US claimed
EP-2519507-B1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES FLAMMA SPA (IT) 2013-10-16 — — EP claimed
US-20120316212-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES UNIVERSITA DEGLI STUDI DI MILANO (IT) 2012-12-13 — — US claimed
EP-2519507-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES Flamma S.P.A. (IT) 2012-11-07 — — EP claimed
WO-2011080139-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES FLAMMA S.P.A. (IT) 2011-07-07 — — WO claimed
US-8623900-B2 Amino alcohol derivatives and their therapeutic activities FLAMMA S.P.A. (IT) 2014-01-07 — — US disclosed
US-20120316212-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES UNIVERSITA DEGLI STUDI DI MILANO (IT) 2012-12-13 — — US disclosed
EP-2519507-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES Flamma S.P.A. (IT) 2012-11-07 — — EP disclosed
WO-2011080139-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES FLAMMA S.P.A. (IT) 2011-07-07 — — 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-20120316212-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES ADH1A, ADH5, ADH1C QPCT 531/4885QPCTL 1379/4885FAAH 586/4885

“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.

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