SCHEMBL11990404

SCHEMBL11990404

CN(CCC1CCCN1)C1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR1A P08908 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
AHCY P23526 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
SCHEMBL11990395 0.96 POLB (0.44) DRD3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11990403 0.90 DRD3 (0.44) DRD3HTR1ADRD2SIGMAR1
SCHEMBL20012239 0.81 GHSR (0.50) DRD3CHRNB4CHRNA3CYP1A2CYP3A4
SCHEMBL11990452 0.81 GHSR (0.50) DRD3CHRNB4CHRNA3CYP1A2CYP3A4
SCHEMBL25568612 0.80 CYP2D6 (0.32) CHRNB4CHRNA3CYP1A2CYP3A4CYP2D6
SCHEMBL11990432 0.77 DRD3 (0.46) DRD3HTR1ASIGMAR1
SCHEMBL2991829 0.77 HTR2A (0.49) DRD3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2426852 0.77 HTR2A (0.49) DRD3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2429656 0.77 HTR2A (0.49) DRD3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10464188 0.77 ACHE (0.47) POLBDRD2SIGMAR1

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-20120214809-A1 Aminoindane Compounds and Use Thereof in Treating Pain Libertas Bio, Inc. 2012-08-23 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-20120214809-A1 Aminoindane Compounds and Use Thereof in Treating Pain TRPA1, TRPV1, TRPV2 DRD3 977/4885CHRNB4 2047/4885CHRNA3 832/4885

“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.