SCHEMBL6795622

SCHEMBL6795622

NC(=O)C1CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GRIN2B Q13224 1/20 0.40
TSHR P16473 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
TLR9 Q9NR96 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL6796053 0.87 HSP90AA1 (0.46) HSP90AA1GRIN2BCHRNB4CHRNA3NOS3
SCHEMBL10469676 0.85 HSP90AA1 (0.44) HSP90AA1ALDH1A1KMT2AGRIN2BTSHR
Hydrochloric Acid SCHEMBL10469678 0.85 HSP90AA1 (0.44) HSP90AA1GRIN2BCHRNB4CHRNA3NOS3
Hydrochloric Acid SCHEMBL10469680 0.85 HSP90AA1 (0.44) HSP90AA1GRIN2BCHRNB4CHRNA3NOS3
SCHEMBL4870039 0.83 SIRT2 (0.44) HSP90AA1ALDH1A1SIRT2KMT2ASMN1; SMN2
SCHEMBL10468906 0.82 HSP90AA1 (0.42) HSP90AA1KMT2AGRIN2BMEN1MAPT
SCHEMBL6327324 0.78 HSP90AA1 (0.45) HSP90AA1KMT2AGRIN2BCHRNB4CHRNA3
SCHEMBL18339371 0.78 HSP90AA1 (0.49) HSP90AA1ALDH1A1KMT2AGRIN2BCHRNB4
SCHEMBL6277445 0.78 HSP90AA1 (0.45) HSP90AA1KMT2AGRIN2BCHRNB4CHRNA3
SCHEMBL6616312 0.78 HSP90AA1 (0.49) HSP90AA1ALDH1A1KMT2AGRIN2BCHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767907-B2 FOR THERAPY OF PSYCHIC AND NEUROLOGIC DISORDERS H. LUNDBECK A/S (DK) 2004-07-27 US disclosed
US-6743808-B1 PSYCHOLOGICAL AND NEUROLOGIC DISORDERS; CENTRAL SEROTONERGIC 5-HT1A AND 5-HT2A RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2004-06-01 US disclosed
US-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines PERREGAARD JENS KRISTIAN (DK) 2003-10-16 US disclosed
US-6218394-B1 FOR THERAPY OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, SUCH AS GENERALISED ANXIETY DISORDER, PANIC DISORDER H. LUNDBECK A/S (DK) 2001-04-17 US disclosed
EP-0765311-B1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES LUNDBECK & CO AS H (DK) 2000-10-04 EP disclosed
EP-0765311-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1997-04-02 EP disclosed
WO-1995033721-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1995-12-14 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 (1 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-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines CNR1, TPH1, CNR2 HSP90AA1 1772/4885ALDH1A1 1059/4885SIRT2 633/4885

“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.