SCHEMBL7214637

SCHEMBL7214637

O=C(Cl)C1Cc2cccc([N+](=O)[O-])c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
GPR35 Q9HC97 2/20 0.41
TDP1 Q9NUW8 3/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
NPY5R Q15761 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MAPT P10636 1/20 0.36
SLC18A3 Q16572 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 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
SCHEMBL14017372 0.86 TDP1 (0.44) CHRNB2CHRNA4GPR35TDP1ACHE
SCHEMBL1080845 0.86 TDP1 (0.44) CHRNB2CHRNA4GPR35TDP1ACHE
Hydrochloric Acid SCHEMBL7214642 0.85 TDP1 (0.43) CHRNB2CHRNA4GPR35TDP1ACHE
Hydrochloric Acid SCHEMBL7214648 0.85 TDP1 (0.43) CHRNB2CHRNA4GPR35TDP1ACHE
SCHEMBL7517485 0.85 TDP1 (0.41) CHRNB2CHRNA4GPR35TDP1ACHE
SCHEMBL1082453 0.81 MAPT (0.48) TDP1ACHEALDH1A1TSHRCYP3A4
SCHEMBL5916971 0.78 GPR35 (0.46) CHRNB2CHRNA4GPR35TDP1ACHE
SCHEMBL14651332 0.77 HRH4 (0.46) ALDH1A1L3MBTL1
SCHEMBL11444096 0.74 TDP1 (0.42) CHRNB2CHRNA4GPR35TDP1ACHE
SCHEMBL1192966 0.74 FAAH (0.46) NPY5RMAPT

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 225/4885CHRNA4 46/4885GPR35 96/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 CHRNB2 225/4885CHRNA4 46/4885GPR35 96/4885

“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.