SCHEMBL13899013

SCHEMBL13899013

COc1ccc(N2CCN(C(C)C)CC2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CHRM2 P08172 2/20 0.40
TP53 P04637 1/20 0.39
CHRM4 P08173 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL19003704 0.83 MAPT (0.43) KDM4EMAPTLMNAMAPK1HTT
SCHEMBL23102230 0.82 ROCK2 (0.39) KDM4EMAPTLMNAGLATSHR
SCHEMBL17897284 0.81 ADAMTS5 (0.43) KDM4EMAPTMAPK1ALDH1A1HRH3
SCHEMBL19003576 0.81 ADAMTS5 (0.43) KDM4EMAPTMAPK1ALDH1A1HRH3
SCHEMBL17897270 0.81 ADAMTS5 (0.43) KDM4EMAPTMAPK1ALDH1A1HRH3
SCHEMBL20009034 0.81 MAPK1 (0.53) MAPTTSHRMAPK1HRH3GSK3B
SCHEMBL20009011 0.81 MAPK1 (0.53) MAPTTSHRMAPK1HRH3GSK3B
SCHEMBL20008993 0.81 MAPK1 (0.53) MAPTTSHRMAPK1HRH3GSK3B
SCHEMBL12536936 0.80 HRH3 (0.50) KDM4EMAPTLMNAGLATSHR
SCHEMBL3772487 0.79 KDM4E (0.52) KDM4EMAPTLMNAGLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511046-B2 Thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists AVENTIS HOKLINGS INC. (US) 2009-03-31 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 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-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 KDM4E 986/4885MAPT 391/4885LMNA 4884/4885

“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.