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Sugi Predict / Compounds / SCHEMBL1622745

SCHEMBL1622745

SCHEMBL1622745

Clc1ccc(Cc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)CC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.52
▸ CLPP Q16740 3/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ C5AR1 P21730 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CETP P11597 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ HTR1A P08908 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
SCHEMBL1623121 0.95 KMT2A (0.49) SIGMAR1CLPPKMT2AALDH1A1MAPT
SCHEMBL1623057 0.91 LMNA (0.52) SIGMAR1CLPPKMT2AALDH1A1MAPT
SCHEMBL1622535 0.91 HTR2A (0.50) SIGMAR1CLPPKMT2AALDH1A1MAPT
SCHEMBL1623049 0.88 SIGMAR1 (0.53) SIGMAR1CLPPKMT2AALDH1A1MAPT
SCHEMBL1623084 0.85 C5AR1 (0.44) KMT2AALDH1A1MAPTKDM4EGLA
SCHEMBL1623206 0.84 CLPP (0.47) CLPPKMT2AALDH1A1MAPTKDM4E
SCHEMBL1622832 0.84 CLPP (0.47) SIGMAR1CLPPKMT2AALDH1A1MAPT
SCHEMBL1623038 0.83 CLPP (0.49) SIGMAR1CLPPKMT2AALDH1A1MAPT
SCHEMBL1621674 0.82 CLPP (0.48) SIGMAR1CLPPKMT2AALDH1A1MAPT
SCHEMBL1622367 0.82 MEN1 (0.48) SIGMAR1CLPPKMT2AALDH1A1C5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 — — US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 — — US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 — — US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 — — US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 — — US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 — — US disclosed
EP-2139896-A1 PYRIMIDO [4, 5-D]AZEPINE DERIVATIVES AS 5-HT2C AGONISTS Pfizer Limited (GB) 2010-01-06 — — EP disclosed
WO-2008117169-A1 PYRIMIDO [4, 5-D] AZEPINE DERIVATIVES AS 5-HT2C AGONISTS PFIZER LIMITED (GB) 2008-10-02 — — 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-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists HTR2C, HTR2A, HTR5A SIGMAR1 255/4885CLPP 4685/4885KMT2A 1526/4885

“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.