SCHEMBL13656181

SCHEMBL13656181

CC(C)(C)CN1CCC2(CCCCC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.33
HTR1A P08908 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
ADRA1B P35368 1/20 0.33
HSD11B1 P28845 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13656164 0.98 CYP2D6 (0.34) CYP2D6HTR1ACYP1A2ALOX15ADRA1B
SCHEMBL19962321 0.96 CYP1A2 (0.32) CYP2D6HTR1ACYP1A2ALOX15ADRA1B
SCHEMBL26455588 0.91 CYP2D6 (0.37) CYP2D6CYP1A2ALOX15SMN1; SMN2
SCHEMBL24842172 0.89 CYP2D6 (0.36) CYP2D6CYP1A2ALOX15SMN1; SMN2
SCHEMBL19962318 0.88 HSD11B1 (0.36) CYP2D6CYP1A2HSD11B1
SCHEMBL12228922 0.83 CYP2D6 (0.37) CYP2D6CYP1A2ALOX15SMN1; SMN2
SCHEMBL23594395 0.81 GRIN2D (0.36) CYP2D6CYP1A2ALOX15SMN1; SMN2
SCHEMBL26455582 0.80 TSHR (0.36) CYP2D6CYP1A2ALOX15
SCHEMBL19962314 0.79 CYP2D6 (0.35) CYP2D6CYP1A2HSD11B1SMN1; SMN2
SCHEMBL23075935 0.79 CYP1A2 (0.45) CYP2D6CYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072677-A1 Peptidomimetics and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-15 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 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 (2 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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 CYP2D6 2280/4885HTR1A 155/4885CYP1A2 1859/4885
US-20180072677-A1 Peptidomimetics and Methods of Using the Same OPRM1, OPRL1, OPRD1 CYP2D6 663/4885HTR1A 226/4885CYP1A2 2067/4885

“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.