SCHEMBL114537

SCHEMBL114537

Oc1ccc(CN2CC3(COC3)C2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 2/20 0.43
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KCNH2 Q12809 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
GHSR Q92847 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FAAH O00519 1/20 0.34
SCN1A P35498 1/20 0.34

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
SCHEMBL545015 0.78 KCNH2 (0.41) KCNH2L3MBTL1
SCHEMBL3377326 0.74 KDM4E (0.53) CYP2A13KDM4ETDP1SIGMAR1ALDH1A1
SCHEMBL545235 0.73 DBH (0.42) KCNH2SIGMAR1HSD17B10CYP2C9POLB
SCHEMBL20237767 0.71 SCN1A (0.44) CYP2A13HDAC6KDM4EPDCD1CD274
SCHEMBL10728397 0.69 MAOA (0.54) CYP2A13KDM4ETDP1SIGMAR1HSD17B10
SCHEMBL23240233 0.69 CD274 (0.36) HDAC6PDCD1CD274
SCHEMBL23213849 0.69 PDCD1 (0.38) CYP2A13HDAC6TDP1PDCD1CD274
SCHEMBL23213302 0.66 GSPT1 (0.49) HDAC6PDCD1CD274SCN1ASCN5A
SCHEMBL4208352 0.65 TYR (0.58) ESR1ESR2HSD17B10
SCHEMBL6166403 0.65 HSD17B10 (0.56) ESR1ESR2HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424870-B1 Therapeutic agents 713 ASTRAZENECA AB (SE) 2015-12-16 EP disclosed
EP-2424870-B1 Therapeutic agents 713 ASTRAZENECA AB (SE) 2015-12-16 EP disclosed
EP-2424870-A1 THERAPEUTIC AGENTS 713 AstraZeneca AB (SE) 2012-03-07 EP disclosed
US-8110566-B2 Therapeutic agents 713 ASTRAZENECA AB (SE) 2012-02-07 US disclosed
US-8110566-B2 Therapeutic agents 713 ASTRAZENECA AB (SE) 2012-02-07 US disclosed
US-8110566-B2 Therapeutic agents 713 ASTRAZENECA AB (SE) 2012-02-07 US disclosed
US-20100280000-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 US disclosed
WO-2010125390-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 WO disclosed
WO-2010125390-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 WO disclosed
US-20100280000-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 US disclosed
US-20100280000-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 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-20100280000-A1 THERAPEUTIC AGENTS 713 MC1R, MC2R, MC3R CYP2A13 113/4885HDAC6 1188/4885KDM4E 3258/4885

“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.