SCHEMBL9945826

SCHEMBL9945826

CN1CCN([C@@H]2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.53
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
GRIN2B Q13224 1/20 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
SCHEMBL9945824 0.88 SIGMAR1 (0.55) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL9945825 0.87 SIGMAR1 (0.54) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL9945828 0.84 SIGMAR1 (0.51) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL9945827 0.84 SIGMAR1 (0.51) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL6001689 0.77
SCHEMBL6001686 0.77
SCHEMBL6001937 0.75 GRIN2B (0.56) HTR2AHTR2CHTR2BGRIN2B
SCHEMBL809935 0.74 ALDH1A1 (0.43) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL11881965 0.71 SIGMAR1 (0.66) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL11642135 0.70 PRCP (0.50) SIGMAR1HTR2AHTR2CHTR2BSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017458-B2 Therapeutic tetrahydronaphthalene compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-07-10 US disclosed
US-10017458-B2 Therapeutic tetrahydronaphthalene compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-07-10 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (3 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 SIGMAR1 1254/4885HTR2A 7/4885HTR2C 1/4885
US-10017458-B2 Therapeutic tetrahydronaphthalene compounds HTR2C, HTR2A, HTR3C SIGMAR1 1155/4885HTR2A 2/4885HTR2C 1/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 SIGMAR1 1254/4885HTR2A 7/4885HTR2C 1/4885

“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.