SCHEMBL447850

SCHEMBL447850

CCC1C(C(=O)O)=C(NC(=O)Oc2ccccc2)CCN1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 3/20 0.40
LMNA P02545 2/20 0.40
CCR1 P32246 1/20 0.39
LIPE Q05469 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
MGLL Q99685 1/20 0.36
PTGS2 P35354 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL447448 0.80 GHSR (0.40) LIPEMEN1KMT2A
SCHEMBL446958 0.75 GRIN2C (0.43) GRIN2CLMNAMEN1KMT2AALDH1A1
SCHEMBL447849 0.73 SIRT3 (0.42) LIPEMEN1KMT2AALDH1A1MAPT
Phenyl 4-Chlorophenylcarbamate SCHEMBL6258165 0.64 ALDH1A1 (0.70) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL9426026 0.63 MEN1 (0.59) MEN1KMT2ATHRB
SCHEMBL7885884 0.63 MEN1 (0.49) GRIN2CLMNAMEN1KMT2A
SCHEMBL29881729 0.62 ENPP3 (0.60) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL8065643 0.61 ALDH1A1 (0.70) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL18029696 0.60 RAB9A (0.51) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL9994247 0.59 KMT2A (0.49) LMNAMEN1KMT2AALDH1A1MAPT

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
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 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 (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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH GRIN2C 291/4885LMNA 2513/4885CCR1 616/4885

“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.