SCHEMBL3732776

SCHEMBL3732776

COc1cccc2c1CC(CCCNCc1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.54
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47

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
SCHEMBL8970407 0.90 SIGMAR1 (0.53) SIGMAR1HTR1ADRD2CHRM2CHRM1
SCHEMBL8970411 0.86 SIGMAR1 (0.58) SIGMAR1HTR1ADRD2CHRM2CHRM1
SCHEMBL9238577 0.81 MTNR1A (0.48) SIGMAR1HTR1ACHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9237392 0.80 MTNR1A (0.47) SIGMAR1HTR1ACHRM2CHRM1CHRM3
SCHEMBL8074250 0.76 DRD2 (0.83) DRD2MTNR1AMTNR1B
SCHEMBL7543711 0.76 DRD2 (0.83) DRD2MTNR1AMTNR1B
SCHEMBL8074280 0.76 DRD2 (0.83) DRD2MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL8604442 0.75 DRD2 (0.81) DRD2MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7932989 0.75 DRD2 (0.81) DRD2MTNR1AMTNR1B
SCHEMBL8970384 0.75 CHRM2 (0.60) SIGMAR1HTR1ADRD2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829587-B2 Substituted 2-aminotetralin derivatives as selective alpha 2B agonist ALLERGAN, INC. (US) 2010-11-09 US disclosed
US-20090176845-A1 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ALLERGAN, INC. 2009-07-09 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-20090176845-A1 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ADRA2B, ADRA1B, ADRB2 SIGMAR1 266/4885HTR1A 17/4885DRD2 310/4885

“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.