SCHEMBL3637570

SCHEMBL3637570

ClCCN(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
REN P00797 5/20 0.38
CTSD P07339 2/20 0.38
CTSE P14091 2/20 0.38
PGC P20142 2/20 0.38
KDM4E B2RXH2 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
SLC22A2 O15244 1/20 0.36
SLC22A3 O75751 1/20 0.36

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
Hydrochloric Acid SCHEMBL11683567 0.97 KCNH2 (0.44) KCNH2MTNR1AMTNR1BNPC1ALDH1A1
SCHEMBL5074222 0.85 KCNH2 (0.44) KCNH2MTNR1AMTNR1BNPC1ALDH1A1
SCHEMBL6547425 0.83 KCNH2 (0.43) KCNH2MTNR1AMTNR1BNPC1ALDH1A1
SCHEMBL4194791 0.83 KCNH2 (0.52) KCNH2MTNR1AMTNR1BALDH1A1NPSR1
SCHEMBL10425499 0.80 KCNH2 (0.50) KCNH2MTNR1AMTNR1BALDH1A1NPSR1
SCHEMBL121635 0.79 EGFR (0.58) KCNH2NPC1ALDH1A1POLBHTT
SCHEMBL7923449 0.78 KCNH2 (0.38) KCNH2MTNR1AMTNR1BNPC1ALDH1A1
SCHEMBL138431 0.78 KCNH2 (0.50) KCNH2MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL4970515 0.78 KCNH2 (0.50) KCNH2MTNR1AMTNR1BSIGMAR1
SCHEMBL4194250 0.76 KCNH2 (0.48) KCNH2MTNR1AMTNR1BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4174440-A Ionic pullulan gels and production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-11-13 US claimed
WO-2021214048-A1 DUAL INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE AND 5-LIPOXYGENASE Johann Wolfgang Goethe-Universität Frankfurt am Main (DE) 2021-10-28 WO disclosed
EP-2164491-A1 PIPERIDINE-4-ACETIC ACID DERIVATIVES AND THEIR USE Euroscreen S.A. (BE) 2010-03-24 EP disclosed
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 US disclosed
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 US disclosed
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 US disclosed
WO-2009010477-A1 PIPERIDINE-4-ACETIC ACID DERIVATIVES AND THEIR USE EUROSCREEN S.A. (BE) 2009-01-22 WO disclosed
WO-2009010477-A1 PIPERIDINE-4-ACETIC ACID DERIVATIVES AND THEIR USE EUROSCREEN S.A. (BE) 2009-01-22 WO disclosed
WO-2009010479-A2 HETEROCYCLIC METHYLENE PIPERIDINE DERIVATIVES AND THEIR USE EUROSCREEN S.A. (BE) 2009-01-22 WO disclosed
WO-2009010480-A1 1-{2-[(DIPHENYL)AMINO]-ETHYL}-PIPERIDINE-4-CARBOXYLIC ACID BENZYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CCR5 AGONISTS FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2009-01-22 WO disclosed
US-4247642-A Enzyme immobilization with pullulan gel SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-27 US disclosed
US-4174440-A Ionic pullulan gels and production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-11-13 US disclosed
US-4147592-A Purification of urokinase SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1979-04-03 US 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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use ALDH1A1, ABAT, ALDH18A1 KCNH2 2444/4885MTNR1A 3162/4885MTNR1B 2048/4885

“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.