SCHEMBL1678397

SCHEMBL1678397

O=C(NCCCc1ccncc1)N(CCC12CC3CC(CC(C3)C1)C2)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
EPHX2 P34913 6/20 0.50
EPHX1 P07099 1/20 0.50
P2RX7 Q99572 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41

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 0.91 P2RX7 (0.51) ALDH1A1MEN1KMT2AGAAHTT
Hydrochloric Acid SCHEMBL1677912 0.90 P2RX7 (0.50) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL1678533 0.87 P2RX7 (0.47) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL1677953 0.87 HSD11B1 (0.47) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL1678449 0.86 EPHX2 (0.44) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL1677703 0.86 P2RX7 (0.46) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL1678506 0.86 P2RX7 (0.46) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL1678490 0.85 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL1678492 0.85 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL1678249 0.85 P2RX7 (0.46) ALDH1A1MEN1KMT2AGAAHTT

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 ALDH1A1 557/4885MEN1 3379/4885KMT2A 4142/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 ALDH1A1 950/4885MEN1 4224/4885KMT2A 4164/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 ALDH1A1 964/4885MEN1 4106/4885KMT2A 4679/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 ALDH1A1 1014/4885MEN1 4587/4885KMT2A 4200/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 ALDH1A1 1011/4885MEN1 4573/4885KMT2A 4173/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 ALDH1A1 556/4885MEN1 4433/4885KMT2A 4727/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 ALDH1A1 1792/4885MEN1 3108/4885KMT2A 4664/4885

“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.