SCHEMBL13656173

SCHEMBL13656173

CC(C)CN1CC2CCCCC2C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.54
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
BIRC2 Q13490 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL24841923 0.91 PIK3CD (0.54) PIK3CDHRH3POLBCYP2D6SMN1; SMN2
SCHEMBL12153213 0.89 PIK3CD (0.44) PIK3CDHRH3POLBCYP2D6SMN1; SMN2
SCHEMBL18926695 0.87 PIK3CD (0.58) PIK3CDHRH3POLBCYP2D6SMN1; SMN2
SCHEMBL13656171 0.87 PIK3CD (0.42) PIK3CDHRH3POLBCYP2D6SMN1; SMN2
SCHEMBL24841928 0.85 PIK3CD (0.58) PIK3CDHRH3CYP2D6SMN1; SMN2
SCHEMBL24842077 0.80 PIK3CD (0.52) PIK3CDHRH3CYP2D6SMN1; SMN2
SCHEMBL24940791 0.79 PIK3CD (0.42) PIK3CDHRH3CYP2D6SMN1; SMN2KDM4E
SCHEMBL23716220 0.78 PIK3CD (0.50) PIK3CDHRH3CYP2D6SMN1; SMN2
SCHEMBL24992026 0.78 PIK3CD (0.50) PIK3CDHRH3CYP2D6SMN1; SMN2
SCHEMBL17285927 0.78 PIK3CD (0.50) PIK3CDHRH3CYP2D6SMN1; SMN2

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
WO-2023018648-A1 PHENOL DERIVATIVES FOR USE IN THE MODULATION OF BRM GENENTECH, INC. (US) 2023-02-16 WO disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 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
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 PIK3CD 4646/4885HRH3 153/4885POLB 4520/4885

“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.