SCHEMBL1677575

SCHEMBL1677575

CC=CCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCCc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 4/20 0.40
CYP19A1 P11511 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP17A1 P05093 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
EPHX2 P34913 7/20 0.40
EPHX1 P07099 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
SCHEMBL1677574 1.00 P2RX7 (0.44) P2RX7SMN1; SMN2ALDH1A1CYP19A1MEN1
SCHEMBL4379669 0.93 P2RX7 (0.39) P2RX7SMN1; SMN2ALDH1A1CYP19A1MEN1
SCHEMBL1678436 0.90 P2RX7 (0.51) P2RX7SMN1; SMN2ALDH1A1CYP19A1MEN1
SCHEMBL1677477 0.89 P2RX7 (0.43) P2RX7SMN1; SMN2ALDH1A1CYP19A1MEN1
SCHEMBL1677760 0.89 P2RX7 (0.45) P2RX7SMN1; SMN2ALDH1A1CYP19A1MEN1
Hydrochloric Acid SCHEMBL1677912 0.89 P2RX7 (0.50) P2RX7SMN1; SMN2ALDH1A1CYP19A1MEN1
SCHEMBL1678490 0.88 ALDH1A1 (0.43) P2RX7SMN1; SMN2ALDH1A1CYP19A1MEN1
SCHEMBL1678492 0.88 ALDH1A1 (0.43) P2RX7SMN1; SMN2ALDH1A1CYP19A1MEN1
SCHEMBL1678533 0.88 P2RX7 (0.47) P2RX7SMN1; SMN2ALDH1A1CYP19A1MEN1
SCHEMBL1677703 0.87 P2RX7 (0.46) P2RX7SMN1; SMN2ALDH1A1CYP19A1MEN1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US claimed
EP-2351566-A1 PHARMACEUTICAL COMPOSITION IMPROVED IN ABSORPTION THROUGH INTESTINAL TRACT Santen Pharmaceutical Co., Ltd (JP) 2011-08-03 EP claimed
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 claimed
EP-1743885-A2 TNF-Alpha Produktion Hemmer zur Behandlung von Autoimmunerkrankungen SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-01-17 EP claimed
US-7098226-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US claimed
EP-1302461-A1 TNF-ALPHA PRODUCTION INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP claimed
US-20030032623-A1 Tnf-alpha production inhibitors AYUMI PHARMACEUTICAL CORPORATION (JP) 2003-02-13 US claimed
US-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
EP-2351566-A1 PHARMACEUTICAL COMPOSITION IMPROVED IN ABSORPTION THROUGH INTESTINAL TRACT Santen Pharmaceutical Co., Ltd (JP) 2011-08-03 EP disclosed
EP-2351566-A1 PHARMACEUTICAL COMPOSITION IMPROVED IN ABSORPTION THROUGH INTESTINAL TRACT Santen Pharmaceutical Co., Ltd (JP) 2011-08-03 EP disclosed
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-7741346-B2 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-22 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 (5 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 P2RX7 1408/4885SMN1; SMN2 4392/4885ALDH1A1 557/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 1294/4885SMN1; SMN2 4499/4885ALDH1A1 950/4885
US-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SLC10A2, NR1H4, SLC10A6 P2RX7 1697/4885SMN1; SMN2 4040/4885ALDH1A1 2063/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 P2RX7 1805/4885SMN1; SMN2 4717/4885ALDH1A1 1011/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 2242/4885SMN1; SMN2 4171/4885ALDH1A1 556/4885

“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.