SCHEMBL3202812

SCHEMBL3202812

CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2C=CN2CCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
ERN1 O75460 1/20 0.43

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
SCHEMBL3202804 1.00 HRH4 (0.48) HRH4CA12CA1CA2CA7
SCHEMBL4570090 0.89 HRH4 (0.51) HRH4CA12CA1CA2CA7
SCHEMBL14185148 0.78 ALDH1A1 (0.50) SMN1; SMN2KMT2AL3MBTL1ALDH1A1
SCHEMBL3882151 0.78 HRH4 (0.56) HRH4CA12CA1CA2CA7
SCHEMBL3193640 0.78 ALDH1A1 (0.67) HRH4CA12CA1CA2CA7
SCHEMBL3209679 0.75 L3MBTL1 (0.50) HRH4SMN1; SMN2HPGDKMT2AL3MBTL1
SCHEMBL3209676 0.75 L3MBTL1 (0.50) HRH4SMN1; SMN2HPGDKMT2AL3MBTL1
SCHEMBL30204391 0.75 HTT (0.47) CA12CA1CA2CA7CA9
SCHEMBL18842342 0.75 HSD17B10 (0.50) SMN1; SMN2HPGDKMT2AL3MBTL1ALDH1A1
SCHEMBL18816151 0.75 HSD17B10 (0.50) SMN1; SMN2HPGDKMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121602-B1 4-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL) INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-03-18 EP disclosed
US-20100041669-A1 4-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-02-18 US 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-20100041669-A1 4-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR5A, HTR1A HRH4 340/4885CA12 4878/4885CA1 4876/4885

“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.