SCHEMBL3525842

SCHEMBL3525842

Cc1ccc(COC2CC3CCC(C2)N3)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.50
SLC6A4 P31645 8/20 0.45
SLC6A2 P23975 5/20 0.45
SLC6A3 Q01959 5/20 0.45
DRD4 P21917 4/20 0.43
SIGMAR1 Q99720 4/20 0.43
TMEM97 Q5BJF2 3/20 0.43
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
AGXT P21549 2/20 0.40
TACR1 P25103 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
SCHEMBL3525840 1.00 NAAA (0.50) NAAASLC6A4SLC6A2SLC6A3DRD4
Hydrochloric Acid SCHEMBL3526232 0.98 NAAA (0.49) NAAASLC6A4SLC6A2SLC6A3DRD4
Hydrochloric Acid SCHEMBL3526231 0.98 NAAA (0.49) NAAASLC6A4SLC6A2SLC6A3DRD4
SCHEMBL3520412 0.83 DRD2 (0.57) NAAASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL3520414 0.83 DRD2 (0.57) NAAASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL12012212 0.83 DRD2 (0.43) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL12012186 0.83 SLC6A4 (0.56) NAAASLC6A4SLC6A2SLC6A3SIGMAR1
Hydrochloric Acid SCHEMBL3519631 0.82 DRD2 (0.43) SLC6A4SLC6A2SLC6A3DRD2DRD3
Hydrochloric Acid SCHEMBL3519632 0.82 DRD2 (0.43) SLC6A4SLC6A2SLC6A3DRD2DRD3
Hydrochloric Acid SCHEMBL3523794 0.82 DRD2 (0.56) NAAASLC6A4SLC6A2SLC6A3DRD2

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 11 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-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
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
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
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 NAAA 615/4885SLC6A4 416/4885SLC6A2 333/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 NAAA 615/4885SLC6A4 416/4885SLC6A2 333/4885

“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.