SCHEMBL9947176

SCHEMBL9947176

c1ccc2c(c1)CC[C@H](N1CCCC1)C2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.68
HTR1A P08908 1/20 0.57
HTR7 P34969 1/20 0.57
OPRL1 P41146 5/20 0.56
OPRM1 P35372 3/20 0.56
OPRK1 P41145 3/20 0.56
TSHR P16473 1/20 0.54
OPRD1 P41143 1/20 0.50
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
LMNA P02545 1/20 0.49
HTR1D P28221 1/20 0.48

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
SCHEMBL8673995 1.00 GRIN2B (0.68) GRIN2BHTR1AHTR7OPRL1OPRM1
SCHEMBL9947164 0.98 GRIN2B (0.66) GRIN2BHTR1AHTR7OPRL1OPRM1
SCHEMBL7436031 0.98 GRIN2B (0.66) GRIN2BHTR1AHTR7OPRL1OPRM1
SCHEMBL9506641 0.98 GRIN2B (0.66) GRIN2BHTR1AHTR7OPRL1OPRM1
SCHEMBL9018525 0.98 GRIN2B (0.66) GRIN2BHTR1AHTR7OPRL1OPRM1
Hydrochloric Acid SCHEMBL7938970 0.96 GRIN2B (0.64) GRIN2BHTR1AHTR7OPRL1OPRM1
SCHEMBL9727205 0.96 GRIN2B (0.68) GRIN2BHTR1AHTR7OPRL1OPRM1
SCHEMBL12670642 0.90 GRIN2B (0.65) GRIN2BHTR1AHTR7OPRL1OPRM1
SCHEMBL13468211 0.88 GRIN2B (0.62) GRIN2BHTR1AHTR7OPRL1OPRM1
SCHEMBL4486847 0.87 CHRNA7 (0.59) GRIN2BHTR1AHTR7OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 GRIN2B 183/4885HTR1A 13/4885HTR7 22/4885

“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.