SCHEMBL1677987

SCHEMBL1677987

CNC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
SMN1; SMN2 Q16637 2/20 0.59
GPR55 Q9Y2T6 1/20 0.58
HSD17B10 Q99714 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
EPHX2 P34913 1/20 0.56
P2RX7 Q99572 3/20 0.54
KMT2A Q03164 2/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
EPHX1 P07099 1/20 0.51
MEN1 O00255 1/20 0.50

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
SCHEMBL23220348 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2GPR55HSD17B10NPSR1
SCHEMBL24758640 0.89 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2GPR55HSD17B10NPSR1
SCHEMBL2605819 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2GPR55HSD17B10NPSR1
SCHEMBL26218004 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HSD17B10KMT2AMEN1
SCHEMBL22570461 0.81 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2NPSR1EPHX2P2RX7
SCHEMBL11571843 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2GPR55NPSR1EPHX2
SCHEMBL16158150 0.80 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2NPSR1EPHX2P2RX7
SCHEMBL26334226 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPSR1EPHX2P2RX7
SCHEMBL5098102 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPSR1EPHX2P2RX7
SCHEMBL3454752 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2GPR55NPSR1EPHX2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed
WO-2018125992-A1 FUNCTIONALIZED NANOLUC INHIBITORS PROMEGA CORPORATION (US) 2018-07-05 WO disclosed
US-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 US disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 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-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 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-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
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-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP 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 557/4885SMN1; SMN2 4392/4885GPR55 261/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 ALDH1A1 950/4885SMN1; SMN2 4499/4885GPR55 365/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 ALDH1A1 1011/4885SMN1; SMN2 4717/4885GPR55 364/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 ALDH1A1 556/4885SMN1; SMN2 4171/4885GPR55 783/4885
US-20100216763-A1 Heteroaryl Amide Derivatives HCAR2, PIGS, GPR52 ALDH1A1 1276/4885SMN1; SMN2 3884/4885GPR55 45/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 ALDH1A1 1792/4885SMN1; SMN2 4681/4885GPR55 1198/4885
US-20130172549-A1 Heteroaryl amide derivatives HCAR2, PIGS, GPR52 ALDH1A1 1276/4885SMN1; SMN2 3884/4885GPR55 45/4885

“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.