SCHEMBL3762082

SCHEMBL3762082

NN1CCCCC1CCN1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
TP53 P04637 2/20 0.41
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL13162438 0.78 CYP1A2 (1.00) CYP1A2TP53ALDH1A1
SCHEMBL6215101 0.75 PSEN1 (0.40) CYP1A2
SCHEMBL15076813 0.75 LMNA (0.36) CYP1A2POLBL3MBTL1LMNAALDH1A1
SCHEMBL14388260 0.74 CYP1A2 (0.67) CYP1A2TP53CHRM5ADRA2CPOLB
SCHEMBL4516096 0.73 CYP1A2 (0.92) CYP1A2TP53ALDH1A1
SCHEMBL3762079 0.73 TP53 (0.56) CYP1A2TP53HRH3POLBL3MBTL1
SCHEMBL25045014 0.72 L3MBTL1 (0.42) CYP1A2CHRM5ADRA2CPOLBL3MBTL1
SCHEMBL12738374 0.72 KMT2A (0.43) CYP1A2TP53CHRM5ADRA2CALDH1A1
SCHEMBL3744984 0.72 CHRM5 (0.43) CYP1A2CHRM5ADRA2CHRH3
SCHEMBL18539239 0.72 CHRM5 (0.43) CYP1A2CHRM5ADRA2CHRH3

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-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 US disclosed
EP-1476151-A1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Akzo Nobel N.V. (NL) 2004-11-17 EP disclosed
WO-2003068220-A1 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS AKZO NOBEL N.V. (NL) 2003-08-21 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-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D CYP1A2 353/4885TP53 3562/4885CHRM5 55/4885

“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.