SCHEMBL4223307

SCHEMBL4223307

COc1cc2c(cc1OC)CN(CCCCC(N)=O)CC2

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.69
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
GFER P55789 1/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
TMEM97 Q5BJF2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
MAOB P27338 1/20 0.57
DRD2 P14416 1/20 0.57
DRD3 P35462 1/20 0.57

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
Hydrochloric Acid SCHEMBL4223003 0.99 ABCB1 (0.67) ABCB1ALDH1A1MAPTKMT2ALMNA
SCHEMBL4223235 0.96 ABCB1 (0.67) ABCB1ALDH1A1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL4220020 0.95 ABCB1 (0.65) ABCB1ALDH1A1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL4220525 0.95 ABCB1 (0.65) ABCB1ALDH1A1MAPTKMT2ALMNA
SCHEMBL4254928 0.92 MAPT (0.65) ABCB1ALDH1A1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL4249730 0.91 MAPT (0.67) ABCB1ALDH1A1MAPTKMT2ALMNA
SCHEMBL5790120 0.85 HDAC3 (0.65) ABCB1ALDH1A1MAPTKMT2ALMNA
SCHEMBL5456103 0.83 L3MBTL1 (0.66) ABCB1ALDH1A1MAPTKMT2ALMNA
SCHEMBL4228297 0.83 ABCB1 (0.76) ABCB1MAPTKDM4ETMEM97SIGMAR1
SCHEMBL29634116 0.83 ABCB1 (0.76) ABCB1MAPTKDM4ETMEM97SIGMAR1

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-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 US disclosed
US-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-20060040978-A1 5-HT7 receptor antagonists LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2006-02-23 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 (2 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-20090163542-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A ABCB1 528/4885ALDH1A1 2903/4885MAPT 1463/4885
US-20060040978-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A ABCB1 528/4885ALDH1A1 2903/4885MAPT 1463/4885

“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.