SCHEMBL7219649

SCHEMBL7219649

O=C(O)C1CCc2cc([N+](=O)[O-])c(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 10/20 0.39
VCAM1 P19320 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.38
MAP4K4 O95819 2/20 0.37
PDE5A O76074 1/20 0.37
FABP3 P05413 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL8834452 0.81 FABP4 (0.45) FABP4MAP4K4PDE5AFABP3
SCHEMBL8834341 0.81 FABP4 (0.45) FABP4MAP4K4PDE5AFABP3
SCHEMBL29284908 0.75 ALDH1A1 (0.41) VCAM1ALDH1A1CYP3A4MAPTTSHR
SCHEMBL30951195 0.75 ALDH1A1 (0.41) VCAM1ALDH1A1CYP3A4MAPTTSHR
SCHEMBL11195157 0.74 FABP4 (0.38) FABP4ALDH1A1MAPT
SCHEMBL11186965 0.74 FABP4 (0.43) FABP4MAP4K4PDE5AFABP3
SCHEMBL11190229 0.74 FABP4 (0.41) FABP4MAP4K4PDE5AFABP3
SCHEMBL6796053 0.74 HSP90AA1 (0.46) FABP4
Hydrochloric Acid SCHEMBL10469678 0.72 HSP90AA1 (0.44) FABP4
SCHEMBL11674464 0.72 FABP4 (0.44) FABP4MAP4K4PDE5AFABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 US disclosed
EP-0946542-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2002-10-09 EP disclosed
US-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 US disclosed
US-20010021777-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-13 US disclosed
US-20010020095-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-06 US disclosed
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 2001-07-17 US disclosed
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 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 (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-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 FABP4 1021/4885VCAM1 1475/4885ALDH1A1 289/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 FABP4 1021/4885VCAM1 1475/4885ALDH1A1 289/4885

“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.