SCHEMBL2339864

SCHEMBL2339864

CN(CC1(O)CCN(CCc2ccc(C#N)cc2)C1)c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
KCNJ1 P48048 2/20 0.38
TSHR P16473 5/20 0.36
USP2 O75604 5/20 0.36
CYP2C9 P11712 4/20 0.36
CYP1A2 P05177 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GPR119 Q8TDV5 2/20 0.36
CYP3A4 P08684 8/20 0.36
CYP2D6 P10635 5/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C19 P33261 3/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL2346510 0.95 CYP3A4 (0.38) KCNH2KCNJ1TSHRUSP2CYP2C9
SCHEMBL6286545 0.95 KCNH2 (0.42) KCNH2KCNJ1TSHRUSP2CYP2C9
SCHEMBL2342647 0.88 KCNH2 (0.41) KCNH2KCNJ1TSHRUSP2CYP2C9
SCHEMBL2337931 0.87 KCNH2 (0.43) KCNH2KCNJ1TSHRUSP2CYP2C9
Hydrochloric Acid SCHEMBL2336471 0.87 KCNH2 (0.42) KCNH2KCNJ1TSHRUSP2CYP2C9
SCHEMBL2338188 0.85 KCNH2 (0.44) KCNH2KCNJ1TSHRUSP2CYP2C9
SCHEMBL2343050 0.83 KCNJ1 (0.41) KCNH2KCNJ1TSHRUSP2CYP2C9
SCHEMBL2344350 0.82 KCNH2 (0.41) KCNH2KCNJ1TSHRUSP2CYP2C9
SCHEMBL2343855 0.82 KCNH2 (0.41) KCNH2KCNJ1TSHRUSP2CYP2C9
SCHEMBL2342064 0.82 KCNH2 (0.47) KCNH2KCNJ1TSHRUSP2CYP2C9

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
EP-1568688-B1 THERAPEUTIC AGENT FOR RESPIRATORY DISEASE CONTAINING 4-HYDROXYPIPERIDINE DERIVATIVE AS ACTIVE INGREDIENT MOCHIDA PHARM CO LTD (JP) 2011-08-31 EP disclosed
US-7494987-B2 Agent for treating respiratory diseases containing 4-hydroxypiperidine derivative as active ingredient MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-02-24 US disclosed
US-20060040985-A1 Therapeutic agent for treating respiratory diseases containing 4-hydroxypiperidine derivative as active ingredient MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-02-23 US disclosed
EP-1568688-A1 THERAPEUTIC AGENT FOR RESPIRATORY DISEASE CONTAINING 4-HYDROXYPIPERIDINE DERIVATIVE AS ACTIVE INGREDIENT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 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-20060040985-A1 Therapeutic agent for treating respiratory diseases containing 4-hydroxypiperidine derivative as active ingredient BRD7, RBBP7, NR0B1 KCNH2 1307/4885KCNJ1 1052/4885TSHR 1145/4885

“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.