SCHEMBL452274

SCHEMBL452274

[CH]=CCCCCC1CCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ EPHX1 P07099 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.35
▸ KDM5A P29375 2/20 0.34
▸ PHF8 Q9UPP1 2/20 0.34
▸ KDM2A Q9Y2K7 2/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ CHRM5 P08912 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CEL P19835 1/20 0.33

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
SCHEMBL7403531 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2EPHX1GPR84KDM5A
SCHEMBL6589344 0.93 CYP1A2 (0.50) SIGMAR1CYP1A2EPHX1GPR84KDM5A
SCHEMBL450392 0.93 CYP1A2 (0.50) SIGMAR1CYP1A2EPHX1GPR84KDM5A
SCHEMBL6033221 0.91 CYP1A2 (0.46) SIGMAR1CYP1A2EPHX1GPR84KDM5A
SCHEMBL542157 0.88 — —
SCHEMBL6593465 0.86 SIGMAR1 (0.38) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL6593058 0.86 — —
SCHEMBL441909 0.83 CYP1A2 (0.42) SIGMAR1CYP1A2EPHX1CHRM5ADRA2C
SCHEMBL8837639 0.81 SIGMAR1 (0.54) SIGMAR1CYP1A2EPHX1GPR84KDM5A
SCHEMBL542400 0.80 — —

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 4 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
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 — — 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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH SIGMAR1 330/4885CYP1A2 176/4885EPHX1 489/4885

“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.

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