SCHEMBL5205570

SCHEMBL5205570

Cc1ccc([N+](=O)[O-])cc1N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.58
SIRT6 Q8N6T7 1/20 0.58
HTR7 P34969 2/20 0.55
HTR6 P50406 1/20 0.55
ALDH1A1 P00352 6/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
SLC6A4 P31645 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR1A P08908 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
Hydrochloric Acid SCHEMBL3252780 0.98 ADRB1 (0.56) ADRB1SIRT6HTR7HTR6ALDH1A1
SCHEMBL30984739 0.88 ADRB1 (0.58) ADRB1SIRT6HTR7HTR6ALDH1A1
SCHEMBL899660 0.88 ADRB1 (0.58) ADRB1SIRT6HTR7HTR6ALDH1A1
Tert-Butyl Formate SCHEMBL27851911 0.88 HTR6 (0.48) ADRB1SIRT6HTR7HTR6ALDH1A1
Hydrochloric Acid SCHEMBL1810063 0.87 ADRB1 (0.56) ADRB1SIRT6HTR7HTR6ALDH1A1
SCHEMBL5765261 0.86 GAA (0.62) ALDH1A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL6663094 0.83 MAPT (0.66) ADRB1SIRT6HTR7ALDH1A1HTR3E
SCHEMBL427403 0.83 SIRT6 (0.59) SIRT6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL7987896 0.83 ADRB1 (0.52) ADRB1SIRT6HTR7HTR6ALDH1A1
SCHEMBL6577448 0.82 HTT (0.60) ADRB1SIRT6HTR7ALDH1A1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401813-B1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
CN-1257892-C New indole derivatives with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity BEARD COLIN C (US) 2005-08-04 US disclosed
US-20040248902-A1 New indole derivatives with 5-HT6 receptor affinity BEARD COLIN CHARLES (US) 2004-12-09 US disclosed
CN-1527816-A Novel indole derivatives having 5-HT 6 receptor affinity - 2004-09-08 CN disclosed
US-6787535-B2 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON'S DISEASE, HUNTINGTON'S DISEASE; PSYCOLOGICAL DISORDERS SYNTEX (U.S.A.) LLC 2004-09-07 US disclosed
EP-1401813-A1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. Hoffman-la Roche AG (CH) 2004-03-31 EP disclosed
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity SYNTEX (U.S.A.) LLC, NAME CHANGE TO ROCHE PALO ALTO LLC 2003-04-17 US disclosed
WO-2002098857-A1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2002-12-12 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 (3 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-20040248902-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 ADRB1 51/4885SIRT6 487/4885HTR7 3/4885
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 ADRB1 58/4885SIRT6 423/4885HTR7 3/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 ADRB1 41/4885SIRT6 649/4885HTR7 3/4885

“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.