SCHEMBL367677

SCHEMBL367677

[CH2]CCCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.57
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
KCNH2 Q12809 3/20 0.56
MAPT P10636 4/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL3024482 0.98 HRH3 (0.60) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL8778568 0.98 HRH3 (0.60) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL9654053 0.95 HRH3 (0.54) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL7475821 0.95 DRD2 (0.58) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL7788133 0.89 HRH3 (0.52) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL72014 0.89 KCNH2 (0.55) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL5390369 0.89 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10554981 0.89 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10558691 0.89 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10559291 0.89 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084870-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084867-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084868-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084866-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
US-RE49934-E1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2024-04-23 US disclosed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
CN-112105419-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-29 CN disclosed
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20040158076-A1 Tyrosine derivatives GENENTECH, INC. 2004-08-12 US disclosed
US-20040110753-A1 Tyrosine derivatives GENENTECH, INC. 2004-06-10 US disclosed
US-20030212071-A1 Serine protease inhibitors GENENTECH, INC. 2003-11-13 US disclosed
US-6472393-B1 Serine protease inhibitors GENENTECH, INC. 2002-10-29 US disclosed
US-6469047-B1 NON-PROTEIN SMALL MOLECULE COMPOUNDS WHICH INHIBIT THE INTERACTION BETWEEN THE ALPHA 4 BETA 7 INTEGRIN AND ITS LIGANDS MADCAM AND/OR VCAM. THESE COMPOUNDS ARE USEFUL FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SUCH AS ARTHRITIS GENENTECH, INC. 2002-10-22 US disclosed
EP-1214292-A1 TYROSINE DERIVATIVES Genentech, Inc. (US) 2002-06-19 EP disclosed
EP-1144373-A3 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2002-01-02 EP disclosed
EP-1144373-A2 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2001-10-17 EP disclosed
WO-2001021584-A1 TYROSINE DERIVATIVES GENENTECH, INC. (US) 2001-03-29 WO disclosed
WO-2000041531-A2 SERINE PROTEASE INHIBITORS GENENTECH, INC. (US) 2000-07-20 WO 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 (6 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-20030212071-A1 Serine protease inhibitors SERPINE1, SPINT2, TFPI HRH3 1634/4885DRD2 4772/4885DRD4 4822/4885
US-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS HRH3 3812/4885DRD2 4826/4885DRD4 4821/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO HRH3 205/4885DRD2 3294/4885DRD4 3477/4885
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 HRH3 2765/4885DRD2 4872/4885DRD4 4880/4885
US-20040110753-A1 Tyrosine derivatives VCAM1, ICAM1, ITGB4 HRH3 1491/4885DRD2 2004/4885DRD4 702/4885
US-20040158076-A1 Tyrosine derivatives VCAM1, ICAM1, ITGB4 HRH3 1491/4885DRD2 2004/4885DRD4 702/4885

“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.