Sugi Predict

Sugi Predict / Compounds / SCHEMBL1678244

SCHEMBL1678244

SCHEMBL1678244

CCCCCN(CCCc1ccccc1)C(=O)NCCCc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ EPHX2 P34913 4/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ NAAA Q02083 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KDM4A O75164 1/20 0.44

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
SCHEMBL1678266 0.96 HPGD (0.49) HPGDSMN1; SMN2KDM4EEPHX2CYP2D6
SCHEMBL1677569 0.94 NAAA (0.50) HPGDSMN1; SMN2KDM4ERAB9ANAAA
SCHEMBL1678251 0.92 NAAA (0.52) HPGDSMN1; SMN2KDM4ERAB9ANAAA
SCHEMBL1677469 0.92 NAAA (0.52) HPGDSMN1; SMN2KDM4ERAB9ANAAA
SCHEMBL1677824 0.90 NAAA (0.48) SMN1; SMN2KDM4ERAB9ANAAANPC1
SCHEMBL7723042 0.88 SMN1; SMN2 (0.51) HPGDSMN1; SMN2KDM4EEPHX2CYP2D6
SCHEMBL1677429 0.87 ALOX12 (0.41) HPGDSMN1; SMN2KDM4ECYP2D6CYP2C19
SCHEMBL1677752 0.86 KDM4E (0.44) HPGDSMN1; SMN2KDM4EEPHX2POLB
SCHEMBL7723044 0.84 EPHX2 (0.46) HPGDSMN1; SMN2KDM4EEPHX2CYP2D6
SCHEMBL7724191 0.82 KDM4E (0.50) HPGDSMN1; SMN2KDM4EEPHX2CYP2D6

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 HPGD 1492/4885SMN1; SMN2 4392/4885KDM4E 1897/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 HPGD 1184/4885SMN1; SMN2 4499/4885KDM4E 2747/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 HPGD 664/4885SMN1; SMN2 4454/4885KDM4E 2716/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 HPGD 1665/4885SMN1; SMN2 4718/4885KDM4E 1375/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 HPGD 1692/4885SMN1; SMN2 4717/4885KDM4E 1368/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 HPGD 348/4885SMN1; SMN2 4171/4885KDM4E 3050/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 HPGD 1350/4885SMN1; SMN2 4681/4885KDM4E 4050/4885

“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.