SCHEMBL680882

SCHEMBL680882

CN(C)C(=O)CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TET2 Q6N021 1/20 0.31
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 1/20 0.30
PMP22 Q01453 1/20 0.30
CCR5 P51681 1/20 0.30

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
SCHEMBL5174067 0.97 ALDH1A1 (0.39) ALDH1A1TSHRCHRNB2CHRNB4CHRNA4
Benzene SCHEMBL1002002 0.92 CCR5 (0.37) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL19169705 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23518445 0.82 HMGCR (0.33) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL1515322 0.80 HMGCR (0.32) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL14159859 0.80 ALDH1A1 (0.39) ALDH1A1TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL15247980 0.78 KDM4E (0.31) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL19608927 0.78 ALDH1A1 (0.37) ALDH1A1TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL24967823 0.78 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1515304 0.78 ALDH1A1 (0.37) ALDH1A1TSHRCHRNB2CHRNB4CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 US claimed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US claimed
EP-2470508-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2012-07-04 EP claimed
WO-2011025541-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2011-03-03 WO claimed
US-5916907-A Method for preventing or treating low renin hypertension by administering an endothelin antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-29 US claimed
US-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US claimed
US-20240226107-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR HAINAN SIMCERE ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230312591-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2023-10-05 US disclosed
US-11771695-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-10-03 US disclosed
US-7173036-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-02-06 US disclosed
EP-1052984-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-11-22 EP disclosed
WO-1999039704-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-12 WO disclosed
US-5916907-A Method for preventing or treating low renin hypertension by administering an endothelin antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-29 US disclosed
US-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US disclosed
US-5294708-A Antidiabetic agents MCNEILAB, INC. (US) 1994-03-15 US disclosed
US-5268373-A Containing a benzene ring MCNEILAB, INC. (US) 1993-12-07 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-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 ALDH1A1 3623/4885TSHR 1295/4885CHRNB2 139/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A ALDH1A1 2786/4885TSHR 3589/4885CHRNB2 2193/4885
US-20240226107-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR USP1, USP2, USP3 ALDH1A1 582/4885TSHR 4093/4885CHRNB2 4499/4885
US-20230312591-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A ALDH1A1 2489/4885TSHR 1842/4885CHRNB2 482/4885
US-11771695-B2 Cannabinoid receptor modulators CNR2, CNR1, OPRL1 ALDH1A1 2692/4885TSHR 1154/4885CHRNB2 144/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 ALDH1A1 3623/4885TSHR 1295/4885CHRNB2 139/4885
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C ALDH1A1 1382/4885TSHR 745/4885CHRNB2 48/4885

“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.