SCHEMBL24433859

SCHEMBL24433859

CC(=O)C1(C2CC2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.43
KCNH2 Q12809 3/20 0.43
CCR2 P41597 2/20 0.43
ESRRG P62508 1/20 0.40
MCHR1 Q99705 1/20 0.37
PARP10 Q53GL7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37

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
SCHEMBL21900422 1.00 TACR1 (0.43) TACR1KCNH2CCR2ESRRGMCHR1
SCHEMBL19443100 1.00 TACR1 (0.43) TACR1KCNH2CCR2ESRRGMCHR1
SCHEMBL18244997 0.91 TACR1 (0.44) TACR1KCNH2CCR2ESRRGKDM4E
SCHEMBL21900586 0.88 ESRRG (0.38) TACR1KCNH2CCR2ESRRG
SCHEMBL20013955 0.86 LMNA (0.38) KCNH2CCR2KDM4ECHRM4CHRM1
SCHEMBL24433921 0.86 TLR9 (0.35) TACR1KCNH2CCR2CHRM4CHRM1
SCHEMBL20013833 0.85 TACR1 (0.34) TACR1KCNH2CCR2CHRM4CHRM1
SCHEMBL19443128 0.84 TACR1 (0.35) TACR1KCNH2CCR2KDM4EMEN1
SCHEMBL20013739 0.83 KCNH2 (0.35) TACR1KCNH2CCR2CHRM4CHRM1
SCHEMBL21900732 0.82 HRH3 (0.35) TACR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2022-05-19 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-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 TACR1 201/4885KCNH2 4506/4885CCR2 1/4885

“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.