SCHEMBL2199277

SCHEMBL2199277

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ HRH4 Q9H3N8 3/20 0.47
▸ HRH3 Q9Y5N1 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SLC6A5 Q9Y345 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ SLC7A5 Q01650 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ QPCT Q16769 1/20 0.42
▸ QPCTL Q9NXS2 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ITGB2 P05107 1/20 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
SCHEMBL2276192 0.88 QPCT (0.56) FAAHCNR1CNR2SLC6A5CYP3A4
SCHEMBL2177294 0.86 FAAH (0.50) FAAHCNR1CNR2SLC6A5CYP3A4
SCHEMBL2195381 0.84 CYP3A4 (0.56) FAAHCNR1CNR2HRH4HRH3
SCHEMBL2178184 0.84 CYP3A4 (0.56) FAAHCNR1CNR2HRH4HRH3
SCHEMBL14152015 0.84 CYP3A4 (0.56) FAAHCNR1CNR2HRH4HRH3
SCHEMBL18381376 0.82 FAAH (0.55) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL16364167 0.82 SLC6A5 (0.62) HRH4HRH3MEN1ALDH1A1KMT2A
SCHEMBL19085694 0.81 SLC15A2 (0.53) FAAHCNR1CNR2HRH4HRH3
SCHEMBL13188856 0.77 HRH4 (0.51) HRH4HRH3MEN1ALDH1A1KMT2A
SCHEMBL2175985 0.76 MME (0.47) MEN1KMT2A

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 8 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
US-8623900-B2 Amino alcohol derivatives and their therapeutic activities FLAMMA S.P.A. (IT) 2014-01-07 — — US disclosed
EP-2519507-B1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES FLAMMA SPA (IT) 2013-10-16 — — EP 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 FAAH 586/4885CNR1 844/4885CNR2 763/4885

“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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