SCHEMBL4140482

SCHEMBL4140482

O=C(CCl)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
KCNH2 Q12809 1/20 0.66
SIGMAR1 Q99720 5/20 0.61
TSHR P16473 1/20 0.61
RAB9A P51151 1/20 0.57
HSD11B1 P28845 1/20 0.56
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
FAAH O00519 1/20 0.55
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HTR7 P34969 1/20 0.53
CHRM3 P20309 1/20 0.53

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
SCHEMBL7287285 0.91 SIGMAR1 (0.74) SIGMAR1TSHRFAAH
SCHEMBL8912321 0.85 SIGMAR1 (0.66) MEN1KMT2AKCNH2SIGMAR1TSHR
SCHEMBL5064043 0.85 ALDH1A1 (0.71) MEN1KMT2ASIGMAR1TSHRRAB9A
SCHEMBL6404265 0.85 HTR2A (0.55) KCNH2ALDH1A1HTTSLC6A3HTR7
SCHEMBL3030886 0.84 MEN1 (0.66) MEN1KMT2AKCNH2SIGMAR1TSHR
SCHEMBL8900932 0.84 SIGMAR1 (0.83) MEN1KMT2AKCNH2SIGMAR1TSHR
SCHEMBL17275260 0.84 MEN1 (0.69) MEN1KMT2AKCNH2SIGMAR1TSHR
SCHEMBL31709238 0.84 ALDH1A1 (0.70) MEN1KMT2AKCNH2SIGMAR1TSHR
SCHEMBL2927709 0.83 MEN1 (0.73) MEN1KMT2AKCNH2SIGMAR1TSHR
SCHEMBL27552111 0.83 MEN1 (0.73) MEN1KMT2AKCNH2SIGMAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 MEN1 1840/4885KMT2A 588/4885KCNH2 248/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 MEN1 1844/4885KMT2A 591/4885KCNH2 260/4885

“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.