SCHEMBL3337495

SCHEMBL3337495

CN1C=CC(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
SLC6A4 P31645 3/20 0.40
CLK1 P49759 2/20 0.39
HIF1A Q16665 1/20 0.39
PTPRA P18433 1/20 0.38
DAO P14920 1/20 0.36
CYP2C19 P33261 1/20 0.36
TNFSF11 O14788 1/20 0.36
TNF P01375 1/20 0.36
HTR1A P08908 2/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
HTR1F P30939 2/20 0.36
KDM1A O60341 1/20 0.36
APP P05067 2/20 0.36
DRD2 P14416 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL3337136 0.79 APP (0.57) SLC6A4HTR1AHTR1DHTR1BHTR1F
SCHEMBL7881156 0.72 HTR2C (0.55) PKMPKLRCLK1PTPRADAO
SCHEMBL29236590 0.70 PKM (0.56) PKMPKLRCLK1PTPRADAO
Maleic Acid SCHEMBL7867904 0.70 CCR2 (0.50) PTPRACYP2C19HTR1AHTR1DHTR1B
Fumaric Acid SCHEMBL7867913 0.70 CCR2 (0.50) PTPRACYP2C19HTR1AHTR1DHTR1B
Fumaric Acid SCHEMBL7867909 0.70 CCR2 (0.50) PTPRACYP2C19HTR1AHTR1DHTR1B
SCHEMBL6640192 0.69 HTR1D (0.63) SLC6A4HTR1AHTR1DHTR1BHTR1F
SCHEMBL31326013 0.67 PKM (0.56) PKMPKLRCLK1PTPRADAO
SCHEMBL398147 0.67 PKM (0.56) PKMPKLRCLK1PTPRADAO
SCHEMBL27090003 0.67 PKM (0.56) PKMPKLRCLK1HIF1APTPRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152177-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-06-17 US disclosed
US-7696229-B2 Compounds having 5-HT6 receptor affinity MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-13 US disclosed
EP-1984351-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20080039462-A1 Compounds having 5-HT6 receptor affinity MEMORY PHARMACEUTICALS CORPORATION 2008-02-14 US disclosed
WO-2007098418-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2007-08-30 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-20100152177-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR1B PKM 3353/4885PKLR 3219/4885SLC6A4 21/4885
US-20080039462-A1 Compounds having 5-HT6 receptor affinity HTR6, HTR3B, HTR1B PKM 3353/4885PKLR 3219/4885SLC6A4 21/4885

“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.