SCHEMBL2755249

SCHEMBL2755249

Clc1ccc(-c2cc(C3CCNCC3)n[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.49
MKNK2 Q9HBH9 3/20 0.49
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR3A P46098 1/20 0.42
LTA4H P09960 1/20 0.42
DRD4 P21917 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 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
SCHEMBL29499047 0.92 LTA4H (0.56) MKNK1MKNK2KMT2AMAPK1TRPM8
SCHEMBL20134937 0.85 SMN1; SMN2 (0.49) MKNK1MKNK2KMT2ANPC1RAB9A
SCHEMBL27696604 0.84 POLB (0.51) MKNK1MKNK2KMT2ANPC1RAB9A
SCHEMBL6032677 0.83 MKNK1 (0.60) MKNK1MKNK2KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL3881594 0.83 POLB (0.50) MKNK1MKNK2KMT2ANPC1RAB9A
SCHEMBL31601765 0.82 MKNK1 (0.48) MKNK1MKNK2KMT2AMAPK1MEN1
Bromide SCHEMBL1940375 0.82 MKNK1 (0.58) MKNK1MKNK2KMT2AMEN1POLB
SCHEMBL31601869 0.82 HRH4 (0.40) MKNK1MKNK2KMT2AMAPK1NPC1
Tert-Butyl Formate SCHEMBL28750330 0.81 LTA4H (0.45) MKNK1MKNK2KMT2AMAPK1TRPM8
SCHEMBL31601724 0.81 HTR2C (0.53) MKNK1MKNK2KMT2AMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP disclosed
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP disclosed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2006-06-29 US disclosed
US-20060052595-A1 Heterocyclic compounds as ccr5 antagonists SMITHKLINE BEECHAM CORPORATION 2006-03-09 US disclosed
EP-1569931-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004055011-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
EP-0665833-B1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 1999-07-14 EP disclosed
US-5631269-A Dopamine receptor subtype ligands MERCK SHARP & DOHME LIMITED (GB) 1997-05-20 US disclosed
EP-0665833-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1995-08-09 EP disclosed
WO-1994010145-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-05-11 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 (7 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-20060052595-A1 Heterocyclic compounds as ccr5 antagonists CCR5, CXCR3, CCR1 MKNK1 866/4885MKNK2 1139/4885KMT2A 4579/4885
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 MKNK1 1114/4885MKNK2 893/4885KMT2A 2568/4885
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 MKNK1 160/4885MKNK2 189/4885KMT2A 1843/4885
US-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY MKNK1 2611/4885MKNK2 2022/4885KMT2A 672/4885
US-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof HTR3C, DRD3, HTR4 MKNK1 3966/4885MKNK2 3714/4885KMT2A 3611/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 MKNK1 992/4885MKNK2 825/4885KMT2A 2539/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY MKNK1 2611/4885MKNK2 2022/4885KMT2A 672/4885

“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.