SCHEMBL13490673

SCHEMBL13490673

CCN1CCC=C(c2ccc(C)cn2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CHRM2 P08172 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL13490577 0.82 LMNA (0.47) CCR1CCR5CCR8HDAC6SIGMAR1
SCHEMBL13490678 0.82 CHRM2 (0.37) CHRM2CHRM3
SCHEMBL13490377 0.81 CHRM2 (0.36) CHRM2CHRM3
SCHEMBL12951109 0.80 CHRM2 (0.54) CCR1CCR5CCR8HDAC6CHRM2
SCHEMBL13591409 0.80 CHRM2 (0.36) CHRM2CHRM3
SCHEMBL13490355 0.78 WNT3A (0.48) CCR1CCR5CCR8HDAC6SIGMAR1
SCHEMBL12950992 0.76 CHRM2 (0.50) CHRM2CHRM3CHRM4CHRM5ADRA2A
SCHEMBL13490388 0.76 SMN1; SMN2 (0.37) CHRM2CHRM3
SCHEMBL13490644 0.75 CCR1 (0.42) CCR1CCR5CCR8HDAC6CHRM2
SCHEMBL18088962 0.70 CCR1 (0.60) CCR1CCR5CCR8HDAC6ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 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 (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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 CCR1 1133/4885CCR5 221/4885CCR8 1506/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 CCR1 1133/4885CCR5 232/4885CCR8 1550/4885

“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.