SCHEMBL17584402

SCHEMBL17584402

OC[C@@H]1[C@H]2C=C[C@H](C2)N1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
GBA1 P04062 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
KCNH2 Q12809 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCB1 P08183 1/20 0.37
GAA P10253 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
FUCA1 P04066 2/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL17585549 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM5GBA1ALDH1A1
SCHEMBL17585551 0.86 CHRM2 (0.44) CHRM2CHRM4CHRM5ALDH1A1TSHR
SCHEMBL9391335 0.84 CHRM2 (0.42) CHRM2CHRM4CHRM5ALDH1A1TSHR
SCHEMBL9387440 0.81 ALDH1A1 (0.42) CHRM2CHRM4CHRM5ALDH1A1TSHR
SCHEMBL17598141 0.78 CHRM2 (0.45) CHRM2CHRM4CHRM5ALDH1A1TSHR
SCHEMBL17598140 0.78 CHRM2 (0.45) CHRM2CHRM4CHRM5ALDH1A1TSHR
SCHEMBL9391377 0.78 CHRM2 (0.45) CHRM2CHRM4CHRM5ALDH1A1TSHR
SCHEMBL693619 0.75 CHRM2 (0.53) CHRM2CHRM4CHRM5GBA1ALDH1A1
SCHEMBL22130764 0.75 SLC6A4 (0.43) ALDH1A1KDM4E
SCHEMBL16765638 0.75 SLC6A4 (0.43) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191468-B1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-12-12 EP disclosed
US-9611262-B2 Substituted 2-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-04-04 US disclosed
US-20160075696-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 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-20160075696-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY2R CHRM2 268/4885CHRM4 273/4885CHRM5 223/4885

“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.