SCHEMBL446958

SCHEMBL446958

CCC1C(C(=O)O)=C(N)CCN1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 1/20 0.43
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
MGLL Q99685 3/20 0.39
LMNA P02545 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ALDH1A1 P00352 2/20 0.37
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PHGDH O43175 1/20 0.37

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
SCHEMBL7888217 0.68 MAPK1 (0.48) GRIN2CPOLB
SCHEMBL7885884 0.66 MEN1 (0.49) GRIN2CLMNAPARP1MEN1KMT2A
SCHEMBL3888129 0.65 SLC6A7 (0.57) MAPTPOLBMGLLALDH1A1MEN1
SCHEMBL26925417 0.62 SLC6A7 (0.51) MAPTPOLBMGLLALDH1A1MEN1
SCHEMBL13753550 0.62 HPGD (0.76) LMNACA12CA1CA2CA7
SCHEMBL10879813 0.61 KMT2A (0.47) MAPTPOLBMGLLALDH1A1MEN1
SCHEMBL16254982 0.61 HPGD (0.84) MAPTPOLBLMNACA12CA1
SCHEMBL10722382 0.61 POLB (0.81) MAPTPOLBMGLLLMNACA12
SCHEMBL9585721 0.61 POLB (0.81) MAPTPOLBMGLLLMNACA12
4-Chloro-Benzoic Acid SCHEMBL28262584 0.61 TSHR (0.77) MAPTLMNACA1CA2ALDH1A1

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 291/4885MAPT 4550/4885POLB 4094/4885

“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.