SCHEMBL2289999

SCHEMBL2289999

N#CC1(c2ccccc2Br)CCC(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 3/20 0.33
HSD11B1 P28845 1/20 0.31
GAA P10253 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
RECQL P46063 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MGLL Q99685 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
SCHEMBL30168408 1.00 MEN1 (0.38) MEN1CYP2C9KMT2APDE4APDE4B
SCHEMBL31459757 0.86 HTR2A (0.35) MEN1KMT2APDE7AHTR2AHTR2C
SCHEMBL6898 0.86 HTR2A (0.35) MEN1KMT2APDE7AHTR2AHTR2C
SCHEMBL8106440 0.82 PDE7A (0.36) MEN1KMT2APDE7AHTR2AHTR2C
SCHEMBL1557008 0.81 MEN1 (0.39) MEN1CYP2C9KMT2APDE4APDE4B
SCHEMBL12173556 0.81 PDE7A (0.37) MEN1KMT2APDE7AHTR2AHTR2C
SCHEMBL2294184 0.80 ADRA1A (0.43) MEN1CYP2C9KMT2APDE4APDE4B
SCHEMBL2288498 0.80 ADRA1A (0.42) MEN1CYP2C9KMT2APDE4APDE4B
SCHEMBL3159094 0.80 MEN1 (0.38) MEN1CYP2C9KMT2APDE4APDE4B
SCHEMBL7949441 0.80 MEN1 (0.38) MEN1CYP2C9KMT2APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179045-A1 LPAR1 ANTAGONISTS AND USES THEREOF CONTINEUM THERAPEUTICS, INC. 2025-06-05 US disclosed
WO-2023014907-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
WO-2023014907-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
EP-2303846-B1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI SA (FR) 2015-04-29 EP disclosed
EP-2303846-B1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI SA (FR) 2015-04-29 EP disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
WO-2009156100-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 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 (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-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS ROCK1, MYLK, ROCK2 MEN1 3398/4885CYP2C9 4327/4885KMT2A 2566/4885
US-20250179045-A1 LPAR1 ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR3 MEN1 2811/4885CYP2C9 4402/4885KMT2A 2605/4885

“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.