SCHEMBL1555055

SCHEMBL1555055

Cc1ccc(B(CCNC2CCCCC2)c2ccc(C)c(Cl)c2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ USP2 O75604 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ OPRL1 P41146 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ GLA P06280 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CXCR4 P61073 2/20 0.35

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
SCHEMBL14503440 0.81 SIGMAR1 (0.43) HTTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL11688081 0.73 POLB (0.57) HTTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL18768845 0.73 POLB (0.57) HTTSMN1; SMN2NPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL11686402 0.71 POLB (0.59) HTTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL1555057 0.71 KDM4E (0.44) HTTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL1554910 0.70 DRD2 (0.41) SMN1; SMN2NPC1RAB9AEPHX2SIGMAR1
SCHEMBL1555886 0.70 MAPT (0.46) HTTSMN1; SMN2RAB9AALDH1A1NPSR1
SCHEMBL1554335 0.69 MEN1 (0.43) EPHX2NPY1RL3MBTL1
SCHEMBL1554923 0.67 CYP3A4 (0.37) SMN1; SMN2NPC1SIGMAR1ALDH1A1KDM4E
SCHEMBL26448675 0.65 HTT (0.60) HTTSMN1; SMN2NPC1RAB9ATSHR

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 HTT 3259/4885SMN1; SMN2 991/4885NPC1 2117/4885
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 HTT 4029/4885SMN1; SMN2 1141/4885NPC1 650/4885

“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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