SCHEMBL6286015

SCHEMBL6286015

N#Cc1ccc(CCN2CCC(O)(COc3ccc(C=O)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.50
KCNJ1 P48048 5/20 0.50
TRPV4 Q9HBA0 3/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
HRH3 Q9Y5N1 6/20 0.41
HRH1 P35367 4/20 0.41
HRH2 P25021 3/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL6283506 0.87 KCNH2 (0.55) KCNH2KCNJ1TRPV4TRPM8HRH3
SCHEMBL6284616 0.87 KCNH2 (0.55) KCNH2KCNJ1TRPV4TRPM8HRH3
Hydrochloric Acid SCHEMBL6286318 0.86 KCNH2 (0.53) KCNH2KCNJ1TRPV4TRPM8HRH3
Hydrochloric Acid SCHEMBL6288058 0.86 KCNH2 (0.53) KCNH2KCNJ1TRPV4TRPM8HRH3
SCHEMBL2341042 0.85 KCNH2 (0.50) KCNH2KCNJ1TRPV4TRPM8HRH3
Hydrochloric Acid SCHEMBL2343080 0.84 KCNH2 (0.49) KCNH2KCNJ1TRPV4TRPM8HRH3
SCHEMBL6284574 0.84 KCNH2 (0.49) KCNH2KCNJ1TRPV4TRPM8HRH3
SCHEMBL6287099 0.83 KCNJ1 (0.68) KCNH2KCNJ1TRPV4TRPM8HRH3
Hydrochloric Acid SCHEMBL6286026 0.83 KCNH2 (0.48) KCNH2KCNJ1TRPV4TRPM8HRH3
SCHEMBL2342522 0.82 KCNH2 (0.47) KCNH2KCNJ1TRPV4TRPM8HRH3

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-6956046-B2 4-hydroxypiperidine derivatives having analgesic activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-18 US disclosed
US-20040176410-A1 4-hydroxpiperdine derivative with analgetic activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-09-09 US disclosed
EP-1391452-A1 4-HYDROXPIPERIDINE DERIVATIVE WITH ANALGETIC ACTIVITY MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-02-25 EP 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-20040176410-A1 4-hydroxpiperdine derivative with analgetic activity HNMT, HDAC1, HDAC3 KCNH2 698/4885KCNJ1 845/4885TRPV4 486/4885

“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.