SCHEMBL3183655

SCHEMBL3183655

O=C(Cc1ccc(Cl)cc1)NC1(CO)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ ADRB2 P07550 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ HSD11B1 P28845 1/20 0.46
▸ CNR2 P34972 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ GRM7 Q14831 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ANO1 Q5XXA6 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ FFAR2 O15552 1/20 0.42

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
SCHEMBL3175750 0.82 EPHX2 (0.56) ALDH1A1HTTADRB2LMNASMN1; SMN2
SCHEMBL3166350 0.78 POLB (0.51) ALDH1A1HTTADRB2POLBLMNA
SCHEMBL4964769 0.77 HDAC4 (0.59) ALDH1A1HTTLMNASMN1; SMN2GAA
SCHEMBL23182731 0.72 ATF4 (0.53) HTTSMN1; SMN2GAAKMT2AMEN1
SCHEMBL3149355 0.71 ACKR3 (0.41) POLBSMN1; SMN2HSD11B1CNR2KMT2A
SCHEMBL23130338 0.69 POLB (1.00) ALDH1A1POLBLMNAGAAKMT2A
SCHEMBL372761 0.69 PLAU (0.51) ALDH1A1HTTSMN1; SMN2GAAKMT2A
SCHEMBL6184682 0.68 MEN1 (0.63) ALDH1A1HTTPOLBLMNASMN1; SMN2
SCHEMBL20582511 0.68 ATF4 (0.84) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL2088153 0.68 CNR2 (0.47) ALDH1A1LMNASMN1; SMN2GAACNR2

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-20100016399-A1 GLYT1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders AHMAD NADIA MAMOONA 2010-01-21 — — US disclosed
US-20100016399-A1 GLYT1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders AHMAD NADIA MAMOONA 2010-01-21 — — US disclosed
WO-2008092873-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 — — 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-20100016399-A1 GLYT1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders SLC18A2, SLC1A2, SLC1A1 ALDH1A1 671/4885HTT 151/4885ADRB2 587/4885

“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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