SCHEMBL6288642

SCHEMBL6288642

CN(CC1(O)CCN(CCc2ccc(C#N)cc2)CC1)c1ccc(C(=O)O)cc1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.46
KCNJ1 P48048 5/20 0.46
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AR P10275 1/20 0.37
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 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
SCHEMBL2342064 0.99 KCNH2 (0.47) KCNH2KCNJ1CYP1A2CYP2C9TSHR
Hydrochloric Acid SCHEMBL2344540 0.98 KCNH2 (0.46) KCNH2KCNJ1CYP1A2CYP2C9TSHR
SCHEMBL2343847 0.94 KCNH2 (0.43) KCNH2KCNJ1CYP1A2CYP2C9TSHR
SCHEMBL13955087 0.93 OPRM1 (0.45) KCNH2KCNJ1CYP1A2CYP2C9TSHR
SCHEMBL2337931 0.93 KCNH2 (0.43) KCNH2KCNJ1CYP1A2CYP2C9TSHR
Hydrochloric Acid SCHEMBL2336471 0.92 KCNH2 (0.42) KCNH2KCNJ1CYP1A2CYP2C9TSHR
Hydrochloric Acid SCHEMBL2340676 0.92 OPRM1 (0.44) KCNH2KCNJ1CYP1A2CYP2C9TSHR
SCHEMBL2341164 0.89 KCNH2 (0.45) KCNH2KCNJ1CYP1A2CYP2C9TSHR
SCHEMBL6288641 0.89 KCNH2 (0.45) KCNH2KCNJ1CYP1A2CYP2C9TSHR
SCHEMBL13955043 0.89 TSHR (0.51) CYP1A2CYP2C9TSHRMEN1KMT2A

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 845/4885CYP1A2 195/4885

“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.