SCHEMBL3899677

SCHEMBL3899677

CC[N+](CC)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.50
▸ MAOB P27338 1/20 0.42
▸ CALM1 P0DP23 1/20 0.41
▸ TSHR P16473 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.36
▸ MAOA P21397 1/20 0.36

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
SCHEMBL6183030 0.83 CALM1 (0.50) TP53MAOBCALM1TSHRALDH1A1
SCHEMBL9269401 0.73 SIGMAR1 (0.41) TP53CALM1SIGMAR1TRPA1TAAR1
SCHEMBL8645664 0.73 TP53 (0.44) TP53MAOBCALM1TSHRALDH1A1
SCHEMBL7700316 0.72 TP53 (0.48) TP53MAOBCALM1TSHRALDH1A1
SCHEMBL297197 0.72 TP53 (0.48) TP53MAOBCALM1TSHRALDH1A1
SCHEMBL17333570 0.69 TP53 (0.44) TP53CALM1TSHRALDH1A1SIGMAR1
SCHEMBL10625103 0.69 MAOB (0.37) TP53MAOBCALM1TSHRALDH1A1
SCHEMBL7903067 0.68 TP53 (0.43) TP53MAOBCALM1TSHRALDH1A1
Ethylbenzene SCHEMBL1330604 0.67 — —
Ethylbenzene SCHEMBL3987542 0.67 TP53 (1.00) TP53CALM1TSHRALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521733-B1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR PFIZER PROD INC (US) 2014-08-20 — — EP disclosed
US-7553877-B2 Use of 2-hydroxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene compounds glucocorticoid receptor agonists to treat certain inflammatory conditions such as arthritis, asthma PFIZER, INC. (US) 2009-06-30 — — US disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 — — US disclosed
US-7214712-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-05-08 — — US disclosed
EP-1553949-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-18 — — EP disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 — — US disclosed
US-7160893-B2 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-09 — — US disclosed
US-7138406-B2 Antiinflammatory agents; antiallergens; vision defects; anticancer agents; gastrointestinal disorders PFIZER, INC. (US) 2006-11-21 — — US disclosed
US-7132424-B2 Monocyclic derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-11-07 — — US disclosed
US-20060247264-A1 Use of 2-hydroxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene compounds glucocorticoid receptor agonists to treat certain inflammatory conditions such as arthritis, asthma PFIZER INC 2006-11-02 — — US disclosed
WO-2003032999-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 — — WO disclosed
EP-1291345-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2003-03-12 — — EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 — — US disclosed
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-24 — — US disclosed
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-24 — — US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 — — WO disclosed
WO-2002064547-A2 ISOPHTHALIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 — — WO disclosed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 — — WO disclosed
WO-2002064578-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 — — WO disclosed
US-4080345-A AN AMINE AND AN ALKALI METAL COMPOUND METZELER SCHAUM GMBH (OE) 1978-03-21 — — 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 (5 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-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP2, MMP3 TP53 1885/4885MAOB 211/4885CALM1 4285/4885
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 TP53 4652/4885MAOB 858/4885CALM1 3935/4885
US-20060247264-A1 Use of 2-hydroxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene compounds glucocorticoid receptor agonists to treat certain inflammatory conditions such as arthritis, asthma NR3C1, NR3C2, LTB4R2 TP53 4301/4885MAOB 3073/4885CALM1 4245/4885
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors MMP15, MMP13, MMP3 TP53 1895/4885MAOB 1321/4885CALM1 2469/4885
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 TP53 4486/4885MAOB 1117/4885CALM1 4097/4885

“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.

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