SCHEMBL1677697

SCHEMBL1677697

CCCCCNCCN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
PRMT8 Q9NR22 1/20 0.48
ACE2 Q9BYF1 1/20 0.47
KDM1A O60341 1/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
SCN5A Q14524 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LTA4H P09960 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 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
SCHEMBL13661142 0.98 KDM4E (0.55) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL7326389 0.98 KDM4E (0.55) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL28193913 0.98 ALDH1A1 (0.54) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL25414330 0.96 KDM4E (0.53) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL21348666 0.96 KDM4E (0.53) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL26941949 0.96 KDM4E (0.53) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL18995674 0.96 KDM4E (0.53) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL13661139 0.94 KDM4E (0.52) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL13644364 0.94 ALDH1A1 (0.53) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL13160710 0.92 HRH3 (0.54) KDM4EALDH1A1TSHRCARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 US disclosed
US-20170362217-A1 Substituted Piperidine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
US-7923461-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 US disclosed
EP-1568692-B1 (Pyridinyl)alkyl-amides or -ureas as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-15 EP disclosed
US-7741346-B2 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-22 US disclosed
US-20100016380-A1 TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-1743885-B1 1-[(adamantyl)alkyl]-3-[(pyridinyl)alkyl]urea compounds as TNF-.alpha inhibitors useful for autoimmune diseases SANTEN PHARMACEUTICAL CO LTD (JP) 2009-11-11 EP disclosed
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed
US-7491739-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-20080182881-A1 TNF-alpha production inhibitors SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2008-07-31 US disclosed
US-20080161270-A1 Angiogenesis inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-7345064-B2 5-(4-pyridyl)valeric acid N-[2-(1-adamantyl)ethyl]-N-pentylamide; Autoimmune diseases such as rheumatoid arthritis, allergy and diabetes SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-03-18 US disclosed
EP-1743885-A2 TNF-Alpha Produktion Hemmer zur Behandlung von Autoimmunerkrankungen SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-01-17 EP disclosed
US-20060241155-A1 5-(4-pyridyl)valeric acid N-[2-(1-adamantyl)ethyl]-N-pentylamide; Autoimmune diseases such as rheumatoid arthritis, allergy and diabetes SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2006-10-26 US disclosed
US-20060229342-A1 TNF-a production inhibitors SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2006-10-12 US disclosed
US-7098226-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US disclosed
EP-1568692-A1 (pyridin-4-yl)alkyl-amides as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
US-20030032623-A1 Tnf-alpha production inhibitors AYUMI PHARMACEUTICAL CORPORATION (JP) 2003-02-13 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 (9 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-20060241155-A1 5-(4-pyridyl)valeric acid N-[2-(1-adamantyl)ethyl]-N-pentylamide; Autoimmune diseases such as rheumatoid arthritis, allergy and diabetes TNFRSF1A, FFAR4, NGFR KDM4E 1897/4885ALDH1A1 557/4885TSHR 153/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 KDM4E 2747/4885ALDH1A1 950/4885TSHR 44/4885
US-10577363-B2 Substituted piperidine compounds SMYD3, SMYD2, SNRPD3 KDM4E 223/4885ALDH1A1 1032/4885TSHR 4097/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 KDM4E 2716/4885ALDH1A1 964/4885TSHR 72/4885
US-20170362217-A1 Substituted Piperidine Compounds SMYD3, SMYD2, SNRPD3 KDM4E 223/4885ALDH1A1 1032/4885TSHR 4097/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 KDM4E 1375/4885ALDH1A1 1014/4885TSHR 498/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 KDM4E 1368/4885ALDH1A1 1011/4885TSHR 536/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 KDM4E 3050/4885ALDH1A1 556/4885TSHR 143/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 KDM4E 4050/4885ALDH1A1 1792/4885TSHR 101/4885

“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.