SCHEMBL13114463

SCHEMBL13114463

CN1CCN(C(=O)c2cn(C)c3ccc(Cl)cc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.62
▸ LMNA P02545 2/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ POLB P06746 2/20 0.52
▸ CNR1 P21554 2/20 0.50
▸ HRH4 Q9H3N8 4/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ RIN1 Q13671 1/20 0.46

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
SCHEMBL22003818 0.90 ACLY (0.53) TP53LMNAALOX15TSHRPOLB
SCHEMBL13114307 0.89 POLB (0.52) TP53LMNAALOX15TSHRPOLB
SCHEMBL14115042 0.87 PTGS2 (0.50) TP53LMNAALOX15TSHRPOLB
SCHEMBL13114473 0.87 KDM4E (0.59) TP53LMNAALOX15TSHRKMT2A
SCHEMBL3456294 0.80 CNR1 (0.60) LMNAPOLBCNR1KMT2AALDH1A1
SCHEMBL1807927 0.80 EPHX2 (0.47) TP53CNR1HRH3HRH1
SCHEMBL15651541 0.79 LRRK2 (0.50) TP53LMNAALOX15TSHRPOLB
SCHEMBL9572754 0.78 KCNH2 (0.59) LMNAPOLBKMT2AALDH1A1RXFP1
SCHEMBL8355113 0.78 KMT2A (0.63) TP53TSHRPOLBKMT2AALDH1A1
SCHEMBL13114466 0.77 KDM4E (0.64) LMNAPOLBKMT2AALDH1A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118060-B1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2010-10-06 — — EP disclosed
US-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols NOVARTIS AG (CH) 2010-03-25 — — US disclosed
US-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols NOVARTIS AG (CH) 2010-03-25 — — 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-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols CCR9, IDO1, CCR10 TP53 4367/4885LMNA 4391/4885ALOX15 2342/4885

“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.

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