SCHEMBL7213658

SCHEMBL7213658

O=C(Cl)C1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 11/20 0.51
ADRA2A P08913 7/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 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
SCHEMBL2241528 0.87 TDP1 (0.52) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7213664 0.85 TDP1 (0.51) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7213665 0.85 TDP1 (0.51) PNMTADRA2AADRA2BADRA2C
SCHEMBL27482885 0.85 ALDH1A1 (0.53) PNMTADRA2AADRA2BADRA2C
SCHEMBL4551781 0.82 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL29370265 0.82 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL2728205 0.82 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL16252312 0.78 TDP1 (0.51) PNMTADRA2AADRA2BADRA2C
SCHEMBL17248039 0.78 TDP1 (0.51) PNMTADRA2AADRA2BADRA2C
SCHEMBL1948741 0.77 PNMT (0.55) PNMTADRA2AADRA2BADRA2C

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 PNMT 639/4885ADRA2A 37/4885ADRA2B 74/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 PNMT 639/4885ADRA2A 37/4885ADRA2B 74/4885

“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.