SCHEMBL1677593

SCHEMBL1677593

O=C(NCCCc1ccncc1)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 1/20 0.60
HTT P42858 3/20 0.54
GAA P10253 1/20 0.53
NAMPT P43490 4/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TPSAB1 Q15661 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL1313894 0.92 SMN1; SMN2 (0.71) KMT2ASMN1; SMN2MEN1HTTGAA
SCHEMBL1677790 0.86 NAMPT (0.51) NAMPTALDH1A1TPSAB1ITGB3ITGA2B
SCHEMBL1678005 0.86 NAMPT (0.51) NAMPTALDH1A1TPSAB1ITGB3ITGA2B
SCHEMBL17117357 0.86 NAMPT (0.66) KMT2ASMN1; SMN2MEN1HTTNAMPT
SCHEMBL1316827 0.83 NAMPT (0.62) KMT2ASMN1; SMN2MEN1HTTNAMPT
SCHEMBL17117403 0.82 NAMPT (0.67) KMT2ASMN1; SMN2MEN1HTTNAMPT
SCHEMBL17117398 0.81 FKBP1A (0.63) KMT2ASMN1; SMN2MEN1HTTGAA
SCHEMBL17117352 0.80 CA1 (0.58) KMT2ASMN1; SMN2MEN1HTTALDH1A1
SCHEMBL1677884 0.79 NAMPT (0.47) SMN1; SMN2NAMPTALDH1A1TSHRTPSAB1
SCHEMBL28218804 0.77 MEN1 (0.74) KMT2ASMN1; SMN2MEN1NAMPTALDH1A1

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 17 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
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
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
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 KMT2A 4142/4885SMN1; SMN2 4392/4885MEN1 3379/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 KMT2A 4164/4885SMN1; SMN2 4499/4885MEN1 4224/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 KMT2A 4679/4885SMN1; SMN2 4454/4885MEN1 4106/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 KMT2A 4200/4885SMN1; SMN2 4718/4885MEN1 4587/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 KMT2A 4173/4885SMN1; SMN2 4717/4885MEN1 4573/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 KMT2A 4727/4885SMN1; SMN2 4171/4885MEN1 4433/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 KMT2A 4664/4885SMN1; SMN2 4681/4885MEN1 3108/4885

“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.