SCHEMBL1677375

SCHEMBL1677375

c1ccc(CCCNC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.65
RAB9A P51151 1/20 0.65
GRM7 Q14831 1/20 0.65
CYP3A4 P08684 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
SIGMAR1 Q99720 10/20 0.58
KCNH2 Q12809 1/20 0.58
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
CNR1 P21554 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL7616722 0.88 RAB9A (0.71) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL10411095 0.85 MTOR (0.81) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL15130899 0.81 SIGMAR1 (0.64) CYP3A4ALOX15SIGMAR1KCNH2ALDH1A1
SCHEMBL7022052 0.81 SIGMAR1 (0.64) CYP3A4ALOX15SIGMAR1KCNH2ALDH1A1
SCHEMBL8095249 0.80 MTOR (1.00) MTORRAB9AGRM7CYP3A4ALOX15
Hydrochloric Acid SCHEMBL15572364 0.79 SIGMAR1 (0.62) CYP3A4ALOX15SIGMAR1KCNH2ALDH1A1
SCHEMBL7780393 0.79 SLC6A3 (0.46) MTORRAB9AGRM7CYP3A4ALOX15
Hydrochloric Acid SCHEMBL3012657 0.78 CYP3A4 (1.00) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL28380769 0.78 SIGMAR1 (0.60) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL10410009 0.78 MTOR (0.68) MTORRAB9AGRM7CYP3A4ALOX15

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115052478-A TRPV4 receptor ligands 犹他大学研究基金会 2022-09-13 CN disclosed
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 2013-07-25 US disclosed
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 (8 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 MTOR 3122/4885RAB9A 4428/4885GRM7 1247/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 MTOR 2486/4885RAB9A 4540/4885GRM7 2256/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 MTOR 3048/4885RAB9A 4560/4885GRM7 2137/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 MTOR 1011/4885RAB9A 4482/4885GRM7 2724/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 MTOR 1014/4885RAB9A 4500/4885GRM7 2714/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 MTOR 2717/4885RAB9A 4516/4885GRM7 3323/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 MTOR 2759/4885RAB9A 3347/4885GRM7 68/4885
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES CASR, CALCR, ORAI1 MTOR 3362/4885RAB9A 3019/4885GRM7 484/4885

“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.