SCHEMBL1678173

SCHEMBL1678173

CCCCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)CCCCc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
CNR2 P34972 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 2/20 0.38
CYP19A1 P11511 3/20 0.37
CYP17A1 P05093 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL1677903 0.99 CNR2 (0.42) P2RX7CNR2SMN1; SMN2ALDH1A1HTT
SCHEMBL1678461 0.97 P2RX7 (0.42) P2RX7CNR2SMN1; SMN2ALDH1A1HTT
SCHEMBL1677873 0.94 P2RX7 (0.43) P2RX7CNR2SMN1; SMN2ALDH1A1HTT
SCHEMBL3570162 0.92 P2RX7 (0.47) P2RX7SMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL1678274 0.91 P2RX7 (0.42) P2RX7CNR2SMN1; SMN2ALDH1A1HTT
SCHEMBL1678243 0.91 P2RX7 (0.42) P2RX7CNR2SMN1; SMN2ALDH1A1HTT
SCHEMBL3569565 0.88 P2RX7 (0.42) P2RX7SMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL1678384 0.87 P2RX7 (0.39) P2RX7CNR2SMN1; SMN2ALDH1A1HTT
SCHEMBL4321143 0.87 CXCR3 (0.47) P2RX7CNR2SMN1; SMN2ALDH1A1HTT
SCHEMBL1679054 0.87 P2RX7 (0.43) P2RX7SMN1; SMN2ALDH1A1HTTMEN1

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 47 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
US-20080182881-A1 TNF-alpha production inhibitors SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2008-07-31 US claimed
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 claimed
EP-1561749-B1 TNF-Alpha production inhibitors for the treatment of autoimmune diseases SANTEN PHARMACEUTICAL CO LTD (JP) 2007-03-28 EP claimed
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 claimed
EP-1561749-A1 TNF-Alpha production inhibitors for the treatment of autoimmune diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-08-10 EP 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-8901155-B2 Method for treating a TRPV1-mediated disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 US disclosed
US-20130090359-A1 METHOD FOR TREATING A TRPV1-MEDIATED DISEASE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-11 US disclosed
US-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
US-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
US-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 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-1561749-A1 TNF-Alpha production inhibitors for the treatment of autoimmune diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-08-10 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 P2RX7 1408/4885CNR2 418/4885SMN1; SMN2 4392/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 1294/4885CNR2 1191/4885SMN1; SMN2 4499/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 1605/4885CNR2 954/4885SMN1; SMN2 4454/4885
US-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SLC10A2, NR1H4, SLC10A6 P2RX7 1697/4885CNR2 397/4885SMN1; SMN2 4040/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 P2RX7 1805/4885CNR2 616/4885SMN1; SMN2 4717/4885
US-20130090359-A1 METHOD FOR TREATING A TRPV1-MEDIATED DISEASE TRPV1, TRPV3, TRPV2 P2RX7 256/4885CNR2 16/4885SMN1; SMN2 2303/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 2242/4885CNR2 1257/4885SMN1; SMN2 4171/4885

“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.