SCHEMBL5889272

SCHEMBL5889272

CC(=N)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.56
EPHX2 P34913 8/20 0.53
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.45
P2RX7 Q99572 4/20 0.45

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
SCHEMBL6158162 0.83 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10EPHX2HTT
SCHEMBL16544616 0.82 HSD17B10 (0.65) ALDH1A1TSHRHSD17B10EPHX2HTT
SCHEMBL15739698 0.79 ALDH1A1 (0.68) ALDH1A1TSHRHSD17B10EPHX2HTT
SCHEMBL660424 0.79 ALDH1A1 (0.68) ALDH1A1TSHRHSD17B10EPHX2HTT
Hydrochloric Acid SCHEMBL28488097 0.78 ALDH1A1 (0.66) ALDH1A1TSHRHSD17B10EPHX2HTT
SCHEMBL5889281 0.77 EPHX2 (0.53) ALDH1A1HSD17B10EPHX2HTTKMT2A
SCHEMBL5889282 0.76 EPHX2 (0.56) ALDH1A1EPHX2KMT2AMAPT
SCHEMBL13556180 0.75 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10EPHX2HTT
Hydrochloric Acid SCHEMBL11532659 0.75 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10EPHX2HTT
Hydrochloric Acid SCHEMBL11533621 0.73 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10EPHX2HTT

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
US-7145037-B2 Adamantane derivatives with neuroprotective, antidepressant and anti-ischaemic activities, and process for preparing them ROTTA RESEARCH LABORATURIUM S.P.A. (IT) 2006-12-05 US disclosed
EP-1512679-A1 Novel adamantane derivatives with neuroprotective, antidepressant and anti-ischaemic activities, and process for preparing them ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2005-03-09 EP disclosed
US-20050049312-A1 Novel adamantane derivatives with neuroprotective, antidepressant and anti-ischaemic activities,and process for preparing them ROTTA RESEARCH LABORATORIUM S.P.A. 2005-03-03 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-20050049312-A1 Novel adamantane derivatives with neuroprotective, antidepressant and anti-ischaemic activities,and process for preparing them BDNF, NLN, GAP43 ALDH1A1 1279/4885TSHR 2622/4885HSD17B10 538/4885

“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.