SCHEMBL5157785

SCHEMBL5157785

O=C(NCc1ccccc1)[C@H]1CCCN1CC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.56
FKBP1A P62942 4/20 0.56
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
PTGER4 P35408 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.52
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51
CNR1 P21554 1/20 0.51

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
SCHEMBL5154461 1.00 F2 (0.56) F2FKBP1AALDH1A1CYP3A4CYP2C9
SCHEMBL2441194 0.84 FKBP1A (0.60) F2FKBP1AALDH1A1CYP3A4CYP2C9
SCHEMBL7452551 0.84 FKBP1A (0.60) F2FKBP1AALDH1A1CYP3A4CYP2C9
SCHEMBL7450338 0.83 CACNA1G (0.60) F2FKBP1AALDH1A1CYP3A4CYP2C9
SCHEMBL8544795 0.83 FKBP1A (0.59) F2FKBP1AALDH1A1CYP3A4CYP2C9
SCHEMBL8543317 0.80 F2 (0.58) F2FKBP1AALDH1A1CYP3A4CYP2C9
SCHEMBL8543599 0.80 EPHX1 (0.54) F2FKBP1AALDH1A1CYP3A4CYP2C9
SCHEMBL8545031 0.79 ALDH1A1 (0.61) F2FKBP1AALDH1A1CYP3A4CYP2C9
SCHEMBL13995293 0.78 ALDH1A1 (0.60) F2FKBP1AALDH1A1CYP3A4CYP2C9
SCHEMBL24820758 0.78 CYP3A4 (0.64) F2FKBP1AALDH1A1CYP3A4CYP2C9

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
EP-1745019-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2007-01-24 EP disclosed
US-20050261290-A1 Novel compounds of proline and morpholine derivatives CHENG HENGMIAO 2005-11-24 US disclosed
WO-2005108359-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2005-11-17 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-20050261290-A1 Novel compounds of proline and morpholine derivatives CYP11B1, HSD11B1, CYP11B2 F2 1171/4885FKBP1A 33/4885ALDH1A1 114/4885

“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.