SCHEMBL1128468

SCHEMBL1128468

CCCCCC(C)(C)c1ccc(N(c2ccc(CCCN)cc2)c2ccc(C(C)(C)CCCCC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
CNR2 P34972 9/20 0.43
CNR1 P21554 5/20 0.40
TNNC1 P63316 5/20 0.39
S1PR1 P21453 2/20 0.39
SGPL1 O95470 1/20 0.39
S1PR4 O95977 1/20 0.39
GPR183 P32249 1/20 0.39
CERS2 Q96G23 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
STS P08842 1/20 0.38
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
SPNS2 Q8IVW8 1/20 0.37

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
SCHEMBL14390805 0.91 CNR2 (0.48) CNR2CNR1TNNC1S1PR1SGPL1
SCHEMBL14419136 0.91 CNR2 (0.48) CNR2CNR1TNNC1S1PR1SGPL1
SCHEMBL18531364 0.84 CA2 (0.41) CNR2TNNC1S1PR1SGPL1S1PR4
SCHEMBL13354844 0.84 CA2 (0.41) CNR2TNNC1S1PR1SGPL1S1PR4
SCHEMBL13425909 0.83 CA2 (0.43) CNR2TNNC1S1PR1SGPL1S1PR4
SCHEMBL1128467 0.82 SHBG (0.42) HTR2A
SCHEMBL1128006 0.81 HTR2A (0.69) HTR2ATNNC1S1PR1SGPL1S1PR4
SCHEMBL4581334 0.80 CNR2 (0.56) CNR2CNR1
SCHEMBL14228174 0.79 CNR2 (0.46) CNR2LPLLIPG
SCHEMBL13434787 0.79 KCNH2 (0.47) CNR2STSLPLLIPG

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-20140034623-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-02-06 US disclosed
EP-2283021-B1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-01-08 EP disclosed
US-8586745-B2 Switchable special effect substances BASF SE (DE) 2013-11-19 US disclosed
US-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2011-03-10 US disclosed
EP-2283021-A2 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2011-02-16 EP disclosed
WO-2009141288-A2 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2009-11-26 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-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES PPARG, PTGER4, NR2E3 HTR2A 2693/4885CNR2 4051/4885CNR1 4357/4885

“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.