SCHEMBL1677953

SCHEMBL1677953

O=C(NCCCc1ccncc1)N(CCC12CC3CC(CC(C3)C1)C2)Cc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.47
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
P2RX7 Q99572 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
TNKS O95271 1/20 0.38
WNT3A P56704 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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 0.87 P2RX7 (0.51) ALDH1A1KMT2AHTTMEN1GAA
SCHEMBL1678397 0.87 ALDH1A1 (0.58) ALDH1A1KMT2AHTTMEN1GAA
Hydrochloric Acid SCHEMBL1677912 0.86 P2RX7 (0.50) ALDH1A1KMT2AHTTMEN1GAA
SCHEMBL1678449 0.84 EPHX2 (0.44) HSD11B1ALDH1A1KMT2AHTTMEN1
SCHEMBL1678533 0.83 P2RX7 (0.47) ALDH1A1KMT2AHTTMEN1GAA
SCHEMBL1678506 0.82 P2RX7 (0.46) ALDH1A1KMT2AHTTMEN1GAA
SCHEMBL1677703 0.82 P2RX7 (0.46) ALDH1A1KMT2AHTTMEN1GAA
SCHEMBL1678129 0.82 P2RX7 (0.39) ALDH1A1KMT2AHTTMEN1GAA
SCHEMBL1677498 0.82 P2RX7 (0.46) ALDH1A1KMT2AHTTMEN1GAA
SCHEMBL1678249 0.82 P2RX7 (0.46) ALDH1A1KMT2AHTTMEN1GAA

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 HSD11B1 782/4885CYP3A4 136/4885ALDH1A1 557/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 HSD11B1 478/4885CYP3A4 358/4885ALDH1A1 950/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 HSD11B1 245/4885CYP3A4 304/4885ALDH1A1 964/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 HSD11B1 624/4885CYP3A4 850/4885ALDH1A1 1014/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 HSD11B1 602/4885CYP3A4 852/4885ALDH1A1 1011/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 HSD11B1 130/4885CYP3A4 425/4885ALDH1A1 556/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 HSD11B1 438/4885CYP3A4 1767/4885ALDH1A1 1792/4885

“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.