SCHEMBL1554923

SCHEMBL1554923

Cc1ccc(B(CCN(C)C)c2ccc(C)c(Cl)c2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ AGTR1 P30556 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RAPGEF4 Q8WZA2 1/20 0.31
▸ UTS2R Q9UKP6 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL16667281 0.79 HPGD (0.40) CYP3A4GAANPC1ALDH1A1MEN1
SCHEMBL2412697 0.77 DRD2 (0.34) CYP3A4ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2407654 0.76 CYP3A4 (0.34) CYP3A4TAAR1GAANPC1ALDH1A1
SCHEMBL12270761 0.76 LYPLA1 (0.48) CYP3A4GAAALDH1A1MAPTKDM4E
SCHEMBL1555062 0.71 CYP3A4 (0.36) CYP3A4GAANPC1ALDH1A1MEN1
SCHEMBL1554910 0.70 DRD2 (0.41) CYP3A4GAANPC1ALDH1A1TP53
SCHEMBL1555886 0.70 MAPT (0.46) CYP3A4GAAALDH1A1MAPTKMT2A
SCHEMBL5380967 0.69 SIGMAR1 (0.44) ALDH1A1SIGMAR1CYP1A2KDM4E
SCHEMBL12266330 0.68 LYPLA1 (0.50) GAAALDH1A1TP53MEN1MAPT
SCHEMBL1554335 0.68 MEN1 (0.43) GAAMEN1MAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 — — US claimed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 — — EP claimed
US-20120316247-A1 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) THE GENERAL HOSPITAL CORPORATION (US) 2012-12-13 — — US disclosed
WO-2011050095-A2 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) THE GENERAL HOSPITAL CORPORATION (US) 2011-04-28 — — WO disclosed
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 — — US disclosed
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 — — US disclosed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 — — 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-20120316247-A1 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) CHAT, ACHE, BCHE CYP3A4 185/4885TAAR1 1865/4885GAA 2180/4885
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 CYP3A4 4600/4885TAAR1 2077/4885GAA 647/4885

“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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