SCHEMBL708919

SCHEMBL708919

CNCCCc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ SIGMAR1 Q99720 2/20 0.53
▸ HRH1 P35367 2/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TAAR1 Q96RJ0 4/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.42
▸ NAAA Q02083 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL16373707 0.94 L3MBTL1 (0.64) MEN1KMT2AL3MBTL1SIGMAR1HRH1
SCHEMBL408922 0.86 TAAR1 (0.60) MEN1KMT2AL3MBTL1SIGMAR1LOXL2
Hydrochloric Acid SCHEMBL4910145 0.84 TAAR1 (0.58) MEN1KMT2AL3MBTL1SIGMAR1LOXL2
SCHEMBL14178223 0.84 MEN1 (0.74) MEN1KMT2AL3MBTL1SIGMAR1SMN1; SMN2
SCHEMBL5430419 0.79 HRH1 (0.47) MEN1KMT2AL3MBTL1SIGMAR1HRH1
SCHEMBL12723241 0.78 HRH1 (0.50) SIGMAR1HRH1LOXL2SMN1; SMN2LMNA
SCHEMBL351920 0.78 HRH1 (0.65) KMT2AL3MBTL1HRH1LOXL2LMNA
SCHEMBL726645 0.78 HRH1 (0.73) KMT2AL3MBTL1HRH1LOXL2SMN1; SMN2
SCHEMBL11922709 0.78 SIGMAR1 (0.50) MEN1KMT2AL3MBTL1SIGMAR1HRH1
SCHEMBL21677 0.77 MEN1 (0.95) MEN1KMT2AL3MBTL1SIGMAR1TAAR1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110248933-A Novel quinoline and isoquinoline derivatives for the treatment of pain and pain related disorders 埃斯特韦制药股份公司 2019-09-17 — — CN claimed
WO-2022115620-A1 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SAGE THERAPEUTICS, INC. (US) 2022-06-02 — — WO disclosed
EP-3558965-A1 NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-30 — — EP disclosed
CN-110248933-A Novel quinoline and isoquinoline derivatives for the treatment of pain and pain related disorders 埃斯特韦制药股份公司 2019-09-17 — — CN disclosed
WO-2018115064-A1 NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2018-06-28 — — WO disclosed
US-8124744-B2 Macrolide derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 — — US disclosed
US-7923461-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 — — US disclosed
EP-1568692-B1 (Pyridinyl)alkyl-amides or -ureas as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-15 — — EP disclosed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 — — US disclosed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 — — US disclosed
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 — — US disclosed
EP-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 — — EP disclosed
CN-1432000-A TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2003-07-23 — — CN disclosed
EP-1302461-A1 TNF-ALPHA PRODUCTION INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 — — EP disclosed
US-20030032623-A1 Tnf-alpha production inhibitors AYUMI PHARMACEUTICAL CORPORATION (JP) 2003-02-13 — — US disclosed
US-5190930-A Calcium metabolism disorder CIBA-GEIGY CORPORATION (US) 1993-03-02 — — US disclosed
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 — — US disclosed
US-5110807-A Calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1992-05-05 — — US disclosed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 — — US disclosed
EP-0269968-A2 Heteroaromatic amine derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-06-08 — — EP 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 (2 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-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 MEN1 4573/4885KMT2A 4173/4885L3MBTL1 3041/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 MEN1 4433/4885KMT2A 4727/4885L3MBTL1 4272/4885

“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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