SCHEMBL6286545

SCHEMBL6286545

CN(CC1(O)CCN(CCc2ccc(C#N)cc2)CC1)c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.42
KCNJ1 P48048 6/20 0.42
TSHR P16473 4/20 0.37
USP2 O75604 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.35
HTR1A P08908 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 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
SCHEMBL2339864 0.95 KCNH2 (0.38) KCNH2KCNJ1TSHRUSP2CYP1A2
SCHEMBL2342647 0.91 KCNH2 (0.41) KCNH2KCNJ1TSHRUSP2CYP1A2
SCHEMBL2338188 0.90 KCNH2 (0.44) KCNH2KCNJ1TSHRUSP2CYP1A2
SCHEMBL2346510 0.90 CYP3A4 (0.38) KCNH2KCNJ1TSHRUSP2CYP1A2
SCHEMBL2342064 0.87 KCNH2 (0.47) KCNH2KCNJ1TSHRUSP2CYP1A2
SCHEMBL2343855 0.87 KCNH2 (0.41) KCNH2KCNJ1TSHRUSP2CYP1A2
Hydrochloric Acid SCHEMBL2344540 0.86 KCNH2 (0.46) KCNH2KCNJ1TSHRUSP2CYP1A2
SCHEMBL6288642 0.86 KCNH2 (0.46) KCNH2KCNJ1TSHRUSP2CYP1A2
SCHEMBL6288641 0.85 KCNH2 (0.45) KCNH2KCNJ1TSHRUSP2CYP1A2
SCHEMBL2337179 0.85 HRH1 (0.43) KCNH2KCNJ1TSHRUSP2CYP1A2

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 845/4885TSHR 2828/4885

“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.