SCHEMBL6287326

SCHEMBL6287326

COC(=O)c1ccc(NCC2(O)CCN(CCc3ccc(C#N)cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
KCNJ1 P48048 2/20 0.47
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NAMPT P43490 1/20 0.43
TSHR P16473 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
USP2 O75604 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SSTR5 P35346 1/20 0.41
CYP2D6 P10635 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL6286340 0.91 KCNH2 (0.44) KCNH2KCNJ1CYP3A4ALDH1A1MAPK1
SCHEMBL6283508 0.89 KCNH2 (0.50) KCNH2KCNJ1CYP3A4ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6288780 0.88 KCNH2 (0.49) KCNH2KCNJ1CYP3A4ALDH1A1MAPK1
SCHEMBL2342522 0.86 KCNH2 (0.47) KCNH2KCNJ1CYP3A4ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6284628 0.85 USP2 (0.46) KCNH2KCNJ1CYP3A4ALDH1A1MAPK1
SCHEMBL2350048 0.84 KCNH2 (0.45) KCNH2KCNJ1CYP3A4ALDH1A1MAPK1
SCHEMBL2341490 0.83 KCNH2 (0.44) KCNH2KCNJ1CYP3A4ALDH1A1MAPK1
SCHEMBL2350113 0.83 MMP1 (0.45) KCNH2KCNJ1CYP3A4ALDH1A1MAPK1
SCHEMBL2338188 0.83 KCNH2 (0.44) KCNH2KCNJ1CYP3A4ALDH1A1MAPK1
SCHEMBL2342650 0.81 KCNH2 (0.40) KCNH2KCNJ1CYP3A4ALDH1A1MAPK1

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 845/4885CYP3A4 252/4885

“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.