SCHEMBL1677571

SCHEMBL1677571

CCCCCNCCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.60
CYP1A2 P05177 3/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP2C19 P33261 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
LMNA P02545 2/20 0.57
SIGMAR1 Q99720 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
ALOX15 P16050 1/20 0.57
TDP1 Q9NUW8 1/20 0.54
CYP2D6 P10635 1/20 0.50
DPP7 Q9UHL4 1/20 0.47
HRH1 P35367 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL28994369 0.98 CHRM2 (0.63) CHRM2CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL10939198 0.98 CHRM2 (0.63) CHRM2CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL5707525 0.95 CYP1A2 (0.61) CHRM2CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL6752172 0.88 CYP1A2 (0.65) CHRM2CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL1921574 0.86 HRH3 (0.70) CHRM2CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL2188467 0.85 CHRM2 (0.77) CHRM2ALDH1A1HRH3LMNASIGMAR1
SCHEMBL23053146 0.84 CYP1A2 (0.69) CHRM2CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL8510594 0.83 CHRM2 (0.81) CHRM2ALDH1A1HRH3ALOX15
SCHEMBL28375831 0.83 CHRM2 (0.81) CHRM2ALDH1A1HRH3ALOX15
SCHEMBL22118357 0.83 CHRM2 (0.81) CHRM2ALDH1A1HRH3ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP 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
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO 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 CHRM2 480/4885CYP1A2 634/4885ALDH1A1 557/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 CHRM2 656/4885CYP1A2 761/4885ALDH1A1 950/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 CHRM2 507/4885CYP1A2 812/4885ALDH1A1 964/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 CHRM2 1577/4885CYP1A2 1722/4885ALDH1A1 1014/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 CHRM2 1686/4885CYP1A2 1716/4885ALDH1A1 1011/4885
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions CYP2A6, CYP2B6, CYP2A13 CHRM2 755/4885CYP1A2 11/4885ALDH1A1 99/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 CHRM2 1511/4885CYP1A2 718/4885ALDH1A1 556/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 CHRM2 374/4885CYP1A2 929/4885ALDH1A1 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.