SCHEMBL7213660

SCHEMBL7213660

O=C(O)C1Cc2cc([N+](=O)[O-])ccc2C1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.41
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PNMT P11086 5/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL6583963 0.79 CHRNB4 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL6583969 0.79 CHRNB4 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL7214641 0.74 ALDH1A1 (0.41) ALDH1A1TDP1L3MBTL1TSHR
SCHEMBL6583712 0.73 CHRNB4 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL6583708 0.73 CHRNB4 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL2241528 0.71 TDP1 (0.52) TDP1PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7213664 0.70 TDP1 (0.51) TDP1PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7213665 0.70 TDP1 (0.51) TDP1PNMTADRA2AADRA2BADRA2C
SCHEMBL28841783 0.70 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL6405617 0.69 PNMT (0.43) ALDH1A1TDP1L3MBTL1PNMTADRA2A

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 CHRNB2 225/4885CHRNB4 104/4885CHRNA3 158/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 CHRNB2 225/4885CHRNB4 104/4885CHRNA3 158/4885

“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.