SCHEMBL1450344

SCHEMBL1450344

[c]1ccc2c(c1)N(CCN1CCOCC1)CCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
ALDH3A1 P30838 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM1A O60341 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 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
SCHEMBL1451138 0.82 KMT2A (0.36) KCNH2HTR1ASLC6A4ALDH1A1MAPT
SCHEMBL20719850 0.79 AR (0.39) HTR1ASLC6A4ALDH1A1MAPTHTT
SCHEMBL1451559 0.79 NOS3 (0.47) KCNH2HTR1ASLC6A4ALDH1A1MAPT
SCHEMBL1450381 0.78 ALDH1A1 (0.44) ALDH1A1HTTKDM1ANPC1RAB9A
SCHEMBL16897891 0.77 CYP3A4 (0.48) KCNH2ALDH1A1TP53MAPTHTT
SCHEMBL27796813 0.77 REN (0.49) KCNH2HTR1ASLC6A4PKMKMT2A
SCHEMBL1451049 0.76 ALDH1A1 (0.38) ALDH1A1TP53MAPTHTTKDM1A
SCHEMBL21053304 0.75 AR (0.42) HTR1ASLC6A4HTTL3MBTL1NPC1
SCHEMBL1451118 0.73 CYP11B1 (0.38) ALDH1A1HTTL3MBTL1NPC1RAB9A
SCHEMBL1450679 0.73 SIGMAR1 (0.33) KCNH2ALDH1A1MAPTHTTKDM1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US disclosed
EP-1908753-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2008-04-09 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 (2 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-20080287428-A1 Novel Heterocyclidene Acetamide Derivative TRPV1, TRPV3, TRPA1 KCNH2 344/4885HTR1A 518/4885SLC6A4 764/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 KCNH2 344/4885HTR1A 518/4885SLC6A4 764/4885

“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.