SCHEMBL3703899

SCHEMBL3703899

CC(C)(C)OC(=O)N1Cc2ccccc2C(C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.52
MAPK1 P28482 1/20 0.50
ABHD6 Q9BV23 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
RORC P51449 2/20 0.43
ESR2 Q92731 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
NR1H2 P55055 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL30771260 1.00 NAMPT (0.52) NAMPTMAPK1ABHD6TAOK3DDB1
SCHEMBL1791197 0.87 GPR119 (0.46) NAMPTMAPK1DDB1CRBNGPR119
SCHEMBL3697074 0.87 NAMPT (0.53) NAMPTMAPK1ABHD6TAOK3DDB1
SCHEMBL23257707 0.84 NAMPT (0.54) NAMPTMAPK1ABHD6TAOK3DDB1
SCHEMBL11929935 0.84 ABHD6 (0.65) NAMPTMAPK1ABHD6TAOK3DDB1
SCHEMBL29457612 0.84 NAMPT (0.54) NAMPTMAPK1ABHD6TAOK3DDB1
SCHEMBL7438933 0.83 NAMPT (0.45) NAMPTMAPK1DDB1CRBNGPR119
SCHEMBL7438944 0.83 NAMPT (0.45) NAMPTMAPK1DDB1CRBNGPR119
SCHEMBL19953754 0.83 NAMPT (0.49) NAMPTMAPK1ABHD6TAOK3DDB1
SCHEMBL29813705 0.83 NAMPT (0.53) NAMPTMAPK1ABHD6TAOK3DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346616-A1 ROCK INHIBITORS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2025-11-13 US disclosed
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 US disclosed
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2019-09-05 US disclosed
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2019-07-16 US disclosed
CN-104903310-B Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain 阵列生物制药公司 2018-08-14 CN disclosed
WO-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2016-12-08 US disclosed
EP-2920166-B1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC (US) 2016-11-02 EP disclosed
EP-2920166-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN Array Biopharma, Inc. (US) 2015-09-23 EP disclosed
CN-104903310-A Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC 2015-09-09 CN disclosed
WO-2014078454-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
US-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 US disclosed
EP-1948639-A2 NOVEL CARBOCYCLIC FUSED CYCLIC AMINES F. Hoffmann-la Roche AG (CH) 2008-07-30 EP disclosed
WO-2007054453-A2 CARBOCYCLIC FUSED CYCLIC AMINES AS INHIBITORS OF THE COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 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-20070112012-A1 Carbocyclic fused cyclic amines F12, F11, F2 NAMPT 3392/4885MAPK1 1946/4885ABHD6 4081/4885
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 NAMPT 2308/4885MAPK1 128/4885ABHD6 4478/4885
US-20250346616-A1 ROCK INHIBITORS AND USES THEREOF ROCK1, ROCK2, RHOA NAMPT 1648/4885MAPK1 327/4885ABHD6 3473/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 NAMPT 2308/4885MAPK1 128/4885ABHD6 4478/4885
US-20120122854-A1 Carbocyclic Fused Cyclic Amines F12, F11, F2 NAMPT 3392/4885MAPK1 1946/4885ABHD6 4081/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 NAMPT 2308/4885MAPK1 128/4885ABHD6 4478/4885
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 NAMPT 2308/4885MAPK1 128/4885ABHD6 4478/4885

“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.