SCHEMBL12836112

SCHEMBL12836112

NC(=O)CC(c1ccc(Cl)cc1)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.50
▸ GABBR2 O75899 3/20 0.42
▸ GABBR1 Q9UBS5 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ P2RX7 Q99572 4/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42

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
SCHEMBL17761387 1.00 FFAR1 (0.50) FFAR1GABBR2GABBR1CYP2C9MEN1
SCHEMBL17761361 1.00 FFAR1 (0.50) FFAR1GABBR2GABBR1CYP2C9MEN1
SCHEMBL6915959 0.85 FFAR1 (0.69) FFAR1GABBR2GABBR1CYP2C9MEN1
SCHEMBL28469916 0.85 FFAR1 (0.51) FFAR1CYP2C9MEN1KMT2ALMNA
SCHEMBL6914052 0.85 FFAR1 (0.69) FFAR1GABBR2GABBR1CYP2C9MEN1
SCHEMBL12836119 0.83 FFAR1 (0.50) FFAR1MEN1KMT2ALMNACYP2C19
SCHEMBL17761209 0.83 FFAR1 (0.50) FFAR1MEN1KMT2ALMNACYP2C19
SCHEMBL17761370 0.83 FFAR1 (0.50) FFAR1MEN1KMT2A
SCHEMBL12836109 0.83 FFAR1 (0.50) FFAR1MEN1KMT2A
SCHEMBL17761367 0.83 FFAR1 (0.50) FFAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2016-05-19 — — US disclosed
US-9212155-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2015-12-15 — — US disclosed
WO-2011034849-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMED PHARMA, INC. (US) 2011-03-24 — — WO disclosed
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2011-02-24 — — US disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 — — US disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 — — US disclosed
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2011-02-24 — — 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 (3 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-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GAP43, CHRNA10, CHRNA6 FFAR1 845/4885GABBR2 117/4885GABBR1 106/4885
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 FFAR1 553/4885GABBR2 156/4885GABBR1 162/4885
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS CHRNA10, CHRNA6, GAP43 FFAR1 1033/4885GABBR2 155/4885GABBR1 129/4885

“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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