SCHEMBL5526744

SCHEMBL5526744

c1ccc(-c2ccccc2N2CCNCC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 1.00
HTR1A P08908 3/20 0.58
HTR2A P28223 2/20 0.58
HTR6 P50406 2/20 0.58
HTR5A P47898 1/20 0.58
PLD1 Q13393 1/20 0.56
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRB1 P08588 2/20 0.50
ADRB2 P07550 1/20 0.49
NCF1 P14598 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47

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
SCHEMBL3094152 0.84 HTR7 (0.72) HTR7HTR1AHTR2AHTR6HTR5A
SCHEMBL7646651 0.83 HTR7 (0.71) HTR7HTR1AHTR2AHTR6HTR5A
SCHEMBL27552785 0.83 HTR7 (0.71) HTR7KDM4EALDH1A1
SCHEMBL14060585 0.83 HTR7 (0.70) HTR7HTR1APLD1HTR2CKDM4E
SCHEMBL13537211 0.81 HTR7 (0.68) HTR7ALDH1A1
Hydrochloric Acid SCHEMBL28771811 0.77 HTR7 (0.62) HTR7PIM1
SCHEMBL3094143 0.77 HTR7 (0.62) HTR7HTR1AHTR2AHTR6PLD1
SCHEMBL3761655 0.76 HTR7 (0.61) HTR7HTR1AHTR2AHTR6HTR5A
SCHEMBL7863591 0.76 HTR7 (0.64) HTR7HTR1AHTR5APLD1ADRB1
SCHEMBL27557095 0.75 HTR7 (0.59) HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
EP-1732897-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
WO-2005097752-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-20 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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions TP53, RB1, HRAS HTR7 2039/4885HTR1A 1827/4885HTR2A 2650/4885

“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.