SCHEMBL10169283

SCHEMBL10169283

CC(C)N1CCC[C@@H](N(C)C(=O)c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.57
KCNH2 Q12809 2/20 0.55
KDM5A P29375 1/20 0.49
USP30 Q70CQ3 2/20 0.49
BTK Q06187 1/20 0.46
CCR5 P51681 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CCR3 P51677 1/20 0.42

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
SCHEMBL6841778 0.87 BACE1 (0.47) HRH3KCNH2KDM5AMEN1KMT2A
Hydrochloric Acid SCHEMBL2916998 0.86 BACE1 (0.46) HRH3KCNH2KDM5AMEN1KMT2A
SCHEMBL10211722 0.82 HRH3 (0.53) HRH3KCNH2KDM5AUSP30BTK
SCHEMBL6096866 0.80 HRH3 (0.42) HRH3KCNH2KDM5AUSP30BTK
SCHEMBL3722676 0.80 HRH3 (0.65) HRH3KCNH2
SCHEMBL3731592 0.80 HRH3 (0.89) HRH3KCNH2
SCHEMBL4359670 0.78 HPGD (0.59) CCR5MEN1KMT2ACCR3
SCHEMBL3722330 0.78 HRH3 (0.90) HRH3KCNH2
SCHEMBL2909666 0.77 CCR5 (0.60) HRH3KCNH2CCR5
SCHEMBL3725423 0.77 HRH3 (0.90) HRH3KCNH2

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-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT HRH3 1169/4885KCNH2 3180/4885KDM5A 3006/4885

“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.