SCHEMBL17148507

SCHEMBL17148507

CC1CCN(c2cccc(C(C)C)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.49
SMPD3 Q9NY59 2/20 0.45
HRH4 Q9H3N8 5/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SYK P43405 1/20 0.40
PDE10A Q9Y233 1/20 0.39
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL18882545 0.85 ACACB (0.49) ACACBHRH4HRH3PDE10ATSHR
SCHEMBL30254450 0.81 GRIN2D (0.48) ACACBSMPD3SYKPDE10ATSHR
SCHEMBL21861489 0.81 GRIN2D (0.48) ACACBSMPD3SYKPDE10ATSHR
SCHEMBL23114398 0.81 HRH4 (0.62) ACACBHRH4HRH3
SCHEMBL23103753 0.81 HRH4 (0.62) ACACBHRH4HRH3
SCHEMBL23107189 0.81 HRH4 (0.62) ACACBHRH4HRH3
SCHEMBL23103739 0.80 HRH3 (0.48) ACACBHRH4HRH3MAP4K4
SCHEMBL23103738 0.80 HRH3 (0.48) ACACBHRH4HRH3MAP4K4
SCHEMBL23114390 0.80 HRH3 (0.48) ACACBHRH4HRH3MAP4K4
SCHEMBL18270122 0.80 HTR3A (0.50) ACACBHRH4HRH3TSHRMEN1

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-9657009-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 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-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 ACACB 4406/4885SMPD3 4095/4885HRH4 614/4885

“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.