SCHEMBL5380967

SCHEMBL5380967

Cc1ccc(B(CCN2CCNCC2)c2ccc(C)c(Cl)c2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.44
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ ADRB1 P08588 1/20 0.36
▸ SLC6A4 P31645 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CXCR4 P61073 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2404213 0.80 SIGMAR1 (0.42) SIGMAR1CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL16667281 0.72 HPGD (0.40) SIGMAR1CYP1A2ALDH1A1
SCHEMBL18754041 0.71 CXCR4 (0.56) SIGMAR1LMNACXCR4
SCHEMBL1555898 0.69 NPC1 (0.41) SIGMAR1ALDH1A1KDM4E
SCHEMBL1554923 0.69 CYP3A4 (0.37) SIGMAR1CYP1A2ALDH1A1KDM4E
SCHEMBL2408399 0.68 NPC1 (0.41) SIGMAR1CYP1A2CYP2D6LMNAALDH1A1
SCHEMBL2406443 0.67 KDM4E (0.40) ALDH1A1KDM4E
SCHEMBL171148 0.66 SMN1; SMN2 (0.46) SIGMAR1CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL2984679 0.65 ADRB1 (0.73) SIGMAR1CYP1A2CYP2D6LMNAADRB1
SCHEMBL2406071 0.65 SMN1; SMN2 (0.45) SIGMAR1ALDH1A1KDM4E

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 6 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
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 SIGMAR1 1205/4885CYP1A2 203/4885CYP2D6 164/4885
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 SIGMAR1 2952/4885CYP1A2 4066/4885CYP2D6 4626/4885

“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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