SCHEMBL3966431

SCHEMBL3966431

Fc1cccc(CC2CC[N]CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLG P00747 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL4283436 0.84 ALDH1A1 (0.47) GRIN1GRIN2BTAAR1IDO1AGXT
Hydrochloric Acid SCHEMBL4879053 0.84 IDO1 (0.47) GRIN1GRIN2BTAAR1IDO1AGXT
SCHEMBL16191197 0.82 ALDH1A1 (0.50) GRIN1GRIN2BTAAR1IDO1AGXT
SCHEMBL2199688 0.79 ALDH1A1 (0.54) TAAR1IDO1AGXTALDH1A1SMN1; SMN2
SCHEMBL3966432 0.79 GBA1 (0.62) GRIN1GRIN2BPLGCHRM2CHRM4
SCHEMBL2264462 0.79 ALDH1A1 (0.42) TAAR1IDO1ALDH1A1
SCHEMBL16191569 0.79 TAAR1 (0.42) GRIN1GRIN2BTAAR1IDO1AGXT
SCHEMBL2298642 0.78 STAT3 (0.43) GRIN1GRIN2B
Hydrochloric Acid SCHEMBL4777854 0.78 GBA1 (0.61) GRIN1GRIN2BIDO1AGXTPLG
Hydrochloric Acid SCHEMBL30522822 0.78 GBA1 (0.61) GRIN1GRIN2BIDO1AGXTPLG

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-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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 (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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R GRIN1 435/4885GRIN2B 505/4885TAAR1 1127/4885

“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.