SCHEMBL1678449

SCHEMBL1678449

O=C(NCCCc1ccncc1)N(CCC12CC3CC(CC(C3)C1)C2)Cc1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 3/20 0.44
ALDH1A1 P00352 6/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
HSD11B1 P28845 1/20 0.41
EPHX1 P07099 1/20 0.41
P2RX7 Q99572 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
TSHR P16473 3/20 0.38
RECQL P46063 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.38
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL1678436 0.86 P2RX7 (0.51) EPHX2KMT2AALDH1A1HTTGAA
SCHEMBL1678397 0.86 ALDH1A1 (0.58) EPHX2KMT2AALDH1A1HTTGAA
Hydrochloric Acid SCHEMBL1677912 0.85 P2RX7 (0.50) EPHX2KMT2AALDH1A1HTTGAA
SCHEMBL1677953 0.84 HSD11B1 (0.47) EPHX2KMT2AALDH1A1HTTGAA
SCHEMBL1678533 0.83 P2RX7 (0.47) EPHX2KMT2AALDH1A1HTTGAA
SCHEMBL1678506 0.82 P2RX7 (0.46) EPHX2KMT2AALDH1A1HTTGAA
SCHEMBL1677703 0.82 P2RX7 (0.46) EPHX2KMT2AALDH1A1HTTGAA
SCHEMBL1677498 0.81 P2RX7 (0.46) EPHX2KMT2AALDH1A1HTTGAA
Hydrochloric Acid SCHEMBL1678012 0.81 P2RX7 (0.46) EPHX2KMT2AALDH1A1HTTGAA
SCHEMBL1678249 0.81 P2RX7 (0.46) EPHX2KMT2AALDH1A1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923461-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 US 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
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
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1302461-A1 TNF-ALPHA PRODUCTION INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP 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 (7 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 EPHX2 1420/4885KMT2A 4142/4885POLB 3652/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX2 1682/4885KMT2A 4164/4885POLB 3402/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX2 1302/4885KMT2A 4679/4885POLB 2879/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 EPHX2 2354/4885KMT2A 4200/4885POLB 3318/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 EPHX2 2296/4885KMT2A 4173/4885POLB 3405/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX2 1239/4885KMT2A 4727/4885POLB 2498/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX2 2113/4885KMT2A 4664/4885POLB 1290/4885

“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.