SCHEMBL5757749

SCHEMBL5757749

O=C1NCCCC1Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.39
USP2 O75604 3/20 0.39
SRC P12931 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 5/20 0.38
CHRM5 P08912 3/20 0.37
CHRM3 P20309 3/20 0.37
CHRM1 P11229 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
PKM P14618 2/20 0.36
DNMT1 P26358 2/20 0.35
PSMD14 O00487 1/20 0.35
MMP2 P08253 1/20 0.35
APEX1 P27695 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
SCHEMBL6973085 0.95 USP2 (0.41) GAATSHRALKBH5USP2SRC
SCHEMBL6975487 0.78 USP2 (0.41) GAATSHRALKBH5USP2MAPT
SCHEMBL31674354 0.75 ALDH1A1 (0.44) GAATSHRALKBH5USP2MAPT
SCHEMBL5593779 0.75 USP2 (0.44) GAATSHRUSP2MAPTALDH1A1
SCHEMBL5755963 0.74 DDB1 (0.57) POLB
Hydrochloric Acid SCHEMBL15650706 0.73 DDB1 (0.55) POLB
SCHEMBL4519254 0.71 GLA (0.38) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL10525539 0.70 EED (0.57) USP2CHRM5CHRM3CHRM1CHRM2
SCHEMBL2729166 0.70 DDB1 (0.55) ALDH1A1POLB
SCHEMBL28049436 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485351-A4 PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE 3-SUBSTITUTED LACTAMS BY ASYMMETRIC HYDROGENATION OF 3-ALKYLIDENELACTAMS BRISTOL MYERS SQUIBB CO (US) 2006-05-03 EP disclosed
US-7015320-B2 Process for the manufacture of optically active 3-substituted lactams by asymmetric hydrogenation of 3-alkylidenelactams BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-21 US disclosed
EP-1485351-A2 PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE 3-SUBSTITUTED LACTAMS BY ASYMMETRIC HYDROGENATION OF 3-ALKYLIDENELACTAMS Bristol-Myers Squibb Company (US) 2004-12-15 EP disclosed
US-20040010139-A1 Process for the manufacture of optically active 3-substituted lactams by asymmetric hydrogenation of 3-alkylidenelactams BRISTOL-MYERS SQUIBB COMPANY 2004-01-15 US disclosed
WO-2003079975-A2 PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE 3-SUBSTITUTED LACTAMS BY ASYMMETRIC HYDROGENATION OF 3-ALKYLIDENELACTAMS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-02 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-20040010139-A1 Process for the manufacture of optically active 3-substituted lactams by asymmetric hydrogenation of 3-alkylidenelactams MRPL21, LAS1L, OXA1L GAA 2577/4885TSHR 2953/4885ALKBH5 1510/4885

“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.