SCHEMBL1554913

SCHEMBL1554913

CCCCNCCOB(Oc1ccc(C)c(Cl)c1)Oc1ccc(C)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.54
▸ DRD4 P21917 8/20 0.54
▸ DRD3 P35462 8/20 0.54
▸ KMT2A Q03164 1/20 0.42
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TP53 P04637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ HTR2A P28223 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL1554336 0.80 DRD4 (0.52) DRD2DRD4DRD3KMT2A
SCHEMBL12270802 0.79 DRD2 (0.47) DRD2DRD4DRD3KMT2ACYP1A2
SCHEMBL1555889 0.77 DRD2 (0.48) DRD2DRD4DRD3KMT2ACYP1A2
SCHEMBL1555855 0.76 DRD2 (0.40) DRD2DRD4DRD3KMT2ACYP1A2
SCHEMBL1554924 0.74 KDM4E (0.40) DRD2DRD4DRD3CYP1A2CYP2C19
SCHEMBL1555057 0.74 KDM4E (0.44) DRD2DRD4DRD3CYP1A2CYP2C19
SCHEMBL12270858 0.74 KMT2A (0.47) DRD2DRD4DRD3KMT2ACYP1A2
SCHEMBL7458727 0.71 CYP1A2 (0.43) DRD2DRD4DRD3CYP1A2CYP2C19
SCHEMBL5673992 0.70 DRD2 (0.57) DRD2DRD4DRD3CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL8055053 0.69 DRD2 (0.97) DRD2DRD4DRD3KMT2ASMN1; SMN2

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
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 DRD2 98/4885DRD4 179/4885DRD3 166/4885
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 DRD2 4282/4885DRD4 4767/4885DRD3 4598/4885

“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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