SCHEMBL4403686

SCHEMBL4403686

Cc1nnnn1CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.34
P2RX7 Q99572 1/20 0.32

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
SCHEMBL4412055 0.76 LMNA (0.33) LMNAKMT2AALDH1A1CYP1A2
SCHEMBL4405008 0.76 LMNA (0.33) LMNAKMT2AALDH1A1
SCHEMBL4405424 0.76 LMNA (0.33) LMNAKMT2AALDH1A1
SCHEMBL4407082 0.76 LMNA (0.33) LMNAKMT2AALDH1A1
SCHEMBL4412072 0.76 LMNA (0.33) LMNAKMT2AALDH1A1
SCHEMBL4410962 0.74 ALDH1A1 (0.35) MAPK1LMNAKMT2AALDH1A1
SCHEMBL4408965 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL95236 0.73
SCHEMBL4411106 0.72 LMNA (0.31) MAPK1LMNAKMT2AALDH1A1
SCHEMBL4415158 0.72 LMNA (0.31) LMNAKMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-04-07 US disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-07 US disclosed
US-9133235-B2 Macrocyclic antagonists of the motilin receptor for treatment of gastrointestinal dysmotility disorders OCERA THERAPEUTICS, INC. (US) 2015-09-15 US disclosed
US-20120308588-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 US disclosed
US-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2010-04-15 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-20080287371-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR MODULATION OF THE MIGRATING MOTOR COMPLEX TRANZYME PHARMA INC. 2008-11-20 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-7160886-B2 Acylated piperazine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-01-09 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 (6 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-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MLNR, GIPR, GPR39 MAPK1 915/4885LMNA 4810/4885KMT2A 4427/4885
US-20120308588-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MAPK1 1219/4885LMNA 800/4885KMT2A 2207/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPK1 1948/4885LMNA 4868/4885KMT2A 3182/4885
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF CYP3A4, SHH, GLI1 MAPK1 3835/4885LMNA 4875/4885KMT2A 3683/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR MAPK1 1948/4885LMNA 4868/4885KMT2A 3182/4885
US-20080287371-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR MODULATION OF THE MIGRATING MOTOR COMPLEX MLNR, CCKAR, CCKBR MAPK1 1146/4885LMNA 4603/4885KMT2A 4710/4885

“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.