SCHEMBL12012201

SCHEMBL12012201

COc1cccc(COC2CC3CCC(C2)N3)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.63
SLC6A2 P23975 8/20 0.63
SLC6A3 Q01959 8/20 0.63
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 1/20 0.45
EED O75530 1/20 0.44
TACR1 P25103 1/20 0.44
MAOB P27338 1/20 0.43

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 SCHEMBL3521585 0.99 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3IDO1AGXT
Hydrochloric Acid SCHEMBL3521582 0.99 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3IDO1AGXT
SCHEMBL12012208 0.83 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3IDO1TACR1
Hydrochloric Acid SCHEMBL3524592 0.82 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3IDO1TACR1
Hydrochloric Acid SCHEMBL3524589 0.82 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3IDO1TACR1
SCHEMBL18616424 0.81 ALDH1A1 (0.61) IDO1AGXTALDH1A1EEDTACR1
SCHEMBL3789138 0.80 SLC6A2 (0.58) SLC6A4SLC6A2SLC6A3IDO1AGXT
SCHEMBL3789134 0.80 SLC6A2 (0.58) SLC6A4SLC6A2SLC6A3IDO1AGXT
SCHEMBL12012233 0.80 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL23072237 0.80 ALDH1A1 (0.60) SLC6A4IDO1AGXTNAAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 SLC6A4 416/4885SLC6A2 333/4885SLC6A3 499/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 SLC6A4 416/4885SLC6A2 333/4885SLC6A3 499/4885

“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.