SCHEMBL2485584

SCHEMBL2485584

CCOC(=O)Cc1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.58
LMNA P02545 3/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.48
F10 P00742 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PTGS2 P35354 2/20 0.45
PTGS1 P23219 1/20 0.45
RIPK1 Q13546 1/20 0.44

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
SCHEMBL4332278 0.88 MAOB (0.48) MAOBLMNAGLAMAPTHCAR2
SCHEMBL68412 0.88 L3MBTL1 (0.50) MAOBMAPTF10SMN1; SMN2L3MBTL1
SCHEMBL16960161 0.85 MAOB (0.47) MAOBLMNAGLAMAPTHCAR2
SCHEMBL1624525 0.84 PPID (0.50) MAOBMAPTL3MBTL1NPC1RAB9A
SCHEMBL901475 0.84 CYP4F2 (0.55) MAOBLMNAGLAMAPTNPC1
SCHEMBL4707684 0.84 MAPT (0.49) MAOBLMNAGLAMAPTHCAR2
SCHEMBL12020856 0.83 SMN1; SMN2 (0.45) MAOBMAPTF10SMN1; SMN2L3MBTL1
SCHEMBL30692683 0.83 SLC7A5 (0.55) MAOBMAPTNPC1RAB9A
SCHEMBL1107143 0.83 KMT2A (0.56) MAOBSMN1; SMN2L3MBTL1NPC1PKM
SCHEMBL74878 0.83 SLC7A5 (0.55) MAOBMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268360-B1 LACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-04-24 EP disclosed
EP-3268360-B1 LACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-04-24 EP disclosed
US-10112929-B2 Lactams as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-30 US disclosed
CN-108250128-A Compound as potassium channel modulating agents 江苏先声药业有限公司 2018-07-06 CN disclosed
US-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMAPANY (US) 2018-02-15 US disclosed
US-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMAPANY (US) 2018-02-15 US disclosed
US-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMAPANY (US) 2018-02-15 US disclosed
EP-3268360-A1 LACTAMS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2018-01-17 EP disclosed
CN-103183674-B One class fused heterocyclic derivative and its application 江苏先声药业有限公司 2017-09-12 CN disclosed
CN-103502213-B Alkaloid ester and carbamate derivatives thereof and medicinal compositions 奇斯药制品公司 2016-09-28 CN disclosed
US-6310208-B1 Serotonin receptor binding benzo[e]isoindoles and benzo[h]isoquinolines HOFFMANN-LA ROCHE INC. 2001-10-30 US disclosed
CN-1312803-A Novel benzopyran or benzothiopyran derivatives C & C RES LAB (KR) 2001-09-12 CN disclosed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 WO disclosed
EP-0958285-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F.HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998030546-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 1998-07-16 WO disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 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 (2 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-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK MYLK, ROCK1, RHOA MAOB 1999/4885LMNA 1739/4885GLA 1160/4885
US-10112929-B2 Lactams as inhibitors of rock MYLK, ROCK1, RHOA MAOB 2095/4885LMNA 1791/4885GLA 1114/4885

“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.