SCHEMBL2117376

SCHEMBL2117376

CC(NCCCO)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
CYP3A4 P08684 2/20 0.61
CHRM2 P08172 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
SMPD1 P17405 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRM1 P35372 1/20 0.61
DRD3 P35462 1/20 0.61
CASR P41180 1/20 0.61
HTR2B P41595 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KCNH2 Q12809 1/20 0.61
CYP1A2 P05177 1/20 0.61

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
SCHEMBL2117373 1.00 LMNA (0.61) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL11421702 1.00 LMNA (0.61) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL28205381 0.94 RRM1 (0.59) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL4800277 0.88 CYP3A4 (0.66) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL3158749 0.88 CYP3A4 (0.66) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL5499560 0.88 CYP3A4 (0.66) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL1101513 0.88 CYP3A4 (0.70) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL5461331 0.88 CYP3A4 (0.70) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL10779809 0.88 CYP3A4 (0.70) LMNACYP3A4CHRM2HTR1AADRA2A
Bromide SCHEMBL7257777 0.86 CYP3A4 (0.63) LMNACYP3A4CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
WO-2009102707-A2 SUBSTITUTED OXAZAPHOSPHORINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
WO-2009102707-A2 SUBSTITUTED OXAZAPHOSPHORINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
US-20090202540-A1 SUBSTITUTED OXAZAPHOSPHORINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20090202540-A1 SUBSTITUTED OXAZAPHOSPHORINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20090202540-A1 SUBSTITUTED OXAZAPHOSPHORINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-13 US 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 (2 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-20090202540-A1 SUBSTITUTED OXAZAPHOSPHORINES TYMP, PAICS, CD47 LMNA 4742/4885CYP3A4 2346/4885CHRM2 4471/4885
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES PSEN1, MAPT, PSEN2 LMNA 4551/4885CYP3A4 3616/4885CHRM2 732/4885

“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.