SCHEMBL5435335

SCHEMBL5435335

O=S(=O)(c1ccccn1)N1CCC(N2COCc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.46
▸ PKM P14618 1/20 0.44
▸ PKLR P30613 1/20 0.44
▸ HSD11B1 P28845 4/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ PARP14 Q460N5 1/20 0.38
▸ AVPR1A P37288 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 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
SCHEMBL6051263 0.87 HTR6 (0.43) HTR6PKMPKLRHSD11B1PTGDR2
SCHEMBL5430816 0.84 TSHR (0.52) PKM
SCHEMBL5783514 0.80 HTR6 (0.58) HTR6USP2ALDH1A1
SCHEMBL3153033 0.79 HTR6 (0.70) HTR6PKMPKLR
SCHEMBL5428757 0.79 GAA (0.52) HTR6PKMUSP2ALDH1A1RAB9A
SCHEMBL5428107 0.79 HTR6 (0.47) HTR6ALDH1A1
SCHEMBL5441438 0.79 ALDH1A1 (0.43) HTR6PKMUSP2ALDH1A1RAB9A
SCHEMBL5431697 0.79 ALDH1A1 (0.51) PKMUSP2ALDH1A1
SCHEMBL5432903 0.78 TSHR (0.50) PKMALDH1A1RAB9ANPC1
SCHEMBL5436729 0.77 HTR6 (0.42) HTR6PKMUSP2ALDH1A1RAB9A

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
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 — — US disclosed
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 — — US disclosed
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-11 — — 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 (3 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-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R HTR6 1/4885PKM 1942/4885PKLR 2704/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R HTR6 1/4885PKM 1942/4885PKLR 2704/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R HTR6 2/4885PKM 1672/4885PKLR 2344/4885

“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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