SCHEMBL23906809

SCHEMBL23906809

CCN1CCNC(C(=O)OCC(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.42
CHRM4 P08173 4/20 0.42
CHRM5 P08912 4/20 0.42
CHRM1 P11229 4/20 0.42
CHRM3 P20309 4/20 0.42
MAPT P10636 1/20 0.38
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2D O15399 3/20 0.35
GRIN3B O60391 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
GRIN2B Q13224 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN3A Q8TCU5 3/20 0.35
THRB P10828 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL23906808 0.80 CCR2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25873417 0.80 CCR2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23906807 0.80 CCR2 (0.40) CHRM5CHRM3MAPTCCR2KCNH2
SCHEMBL30831133 0.75 MAPT (0.46) MAPTCCR2KCNH2GRIN2DGRIN3B
SCHEMBL6577891 0.75 MAPT (0.63) MAPTCCR2KCNH2GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL11483221 0.73 MAPT (0.61) MAPTCCR2KCNH2GRIN2DGRIN3B
SCHEMBL12824589 0.73 SMN1; SMN2 (0.46) MAPTCCR2KCNH2GRIN2DGRIN3B
SCHEMBL3714016 0.72 RAB9A (0.39) CYP1A2CYP2C19RAB9A
SCHEMBL10363588 0.72 RAB9A (0.39) CYP1A2CYP2C19RAB9A
SCHEMBL8816593 0.71 CHRM2 (0.30) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 WO 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-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 CHRM2 2479/4885CHRM4 2028/4885CHRM5 569/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 CHRM2 2479/4885CHRM4 2028/4885CHRM5 569/4885

“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.