SCHEMBL3779866

SCHEMBL3779866

O=C(NC1CCC1)c1ccc(CBr)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.53
▸ TAS1R1 Q7RTX1 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ NPC1 O15118 7/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ GRM5 P41594 3/20 0.50
▸ CNR2 P34972 1/20 0.49
▸ HPGD P15428 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ MLLT1 Q03111 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ TAS1R2 Q8TE23 1/20 0.45

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
SCHEMBL9295949 0.80 NPC1 (0.58) L3MBTL1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL20339993 0.78 TAS1R3 (0.65) TAS1R3TAS1R1L3MBTL1NPC1RAB9A
SCHEMBL28684619 0.78 NPC1 (0.66) TAS1R3L3MBTL1NPC1RAB9ACNR2
SCHEMBL9379929 0.77 KMT2A (0.57) L3MBTL1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2920786 0.75 NPC1 (0.62) L3MBTL1NPC1RAB9ACNR2HPGD
SCHEMBL2259867 0.75 TSHR (0.59) L3MBTL1SMN1; SMN2TP53KMT2A
SCHEMBL24960538 0.75 TAS1R3 (0.54) TAS1R3TAS1R1L3MBTL1NPC1RAB9A
SCHEMBL2930842 0.73 SRD5A2 (0.48) TAS1R3TAS1R1HPGD
SCHEMBL531505 0.72 TAS1R3 (0.64) TAS1R3TAS1R1L3MBTL1NPC1RAB9A
SCHEMBL5630057 0.72 KMT2A (0.54) TAS1R3L3MBTL1NPC1RAB9AGRM5

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
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 — — EP disclosed
CN-101316591-B Quinoline compound and pharmaceutical application thereof ARGENTA ORAL THERAPEUTICS LTD. (GB) 2012-02-01 — — CN disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 — — US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 — — US disclosed
CN-101316591-A Quinolines and their therapeutic use ARGENTA DISCOVERY LTD (GB) 2008-12-03 — — CN 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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 TAS1R3 1184/4885TAS1R1 1106/4885L3MBTL1 3442/4885

“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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