SCHEMBL290887

SCHEMBL290887

C1=Cc2ccccc2[C@@H](C2CCCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.39
HTR2C P28335 6/20 0.39
HTR2B P41595 6/20 0.39
HRH3 Q9Y5N1 5/20 0.39
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PRCP P42785 1/20 0.36
SIGMAR1 Q99720 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NOS1 P29475 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
DPP4 P27487 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL10475434 0.83 HTR2C (0.42) HTR2CSIGMAR1
SCHEMBL7214849 0.82 HTR2A (0.40) HTR2AHTR2CHTR2BKDM4EDPP4
SCHEMBL15859579 0.80 HTR2A (0.35) HTR2AHTR2CHTR2BHRH3KDM4E
SCHEMBL8878343 0.77 HTR2C (0.37) HTR2CSIGMAR1
SCHEMBL30790640 0.73 HTR6 (0.33) HTR2ADPP4
SCHEMBL7605148 0.70 PRCP (0.38) HTR2AHTR2CHTR2BHRH3BCHE
SCHEMBL4854655 0.70 PRCP (0.38) HTR2AHTR2CHTR2BHRH3BCHE
SCHEMBL10589173 0.70 PRCP (0.38) HTR2AHTR2CHTR2BHRH3BCHE
SCHEMBL9808112 0.70 PRCP (0.38) HTR2AHTR2CHTR2BHRH3BCHE
SCHEMBL21158160 0.69 HTR2A (0.39) HTR2AHTR2CHTR2BKDM4EMEN1

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
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
EP-2427183-A2 THERAPEUTIC COMPOUNDS University of Florida Research Foundation, Inc. (US) 2012-03-14 EP disclosed
WO-2010129048-A2 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-11-11 WO 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 HTR2A 7/4885HTR2C 1/4885HTR2B 21/4885
US-10017458-B2 Therapeutic tetrahydronaphthalene compounds HTR2C, HTR2A, HTR3C HTR2A 2/4885HTR2C 1/4885HTR2B 12/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 HTR2A 7/4885HTR2C 1/4885HTR2B 21/4885

“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.