SCHEMBL2639726

SCHEMBL2639726

CCCC[n+]1ccc(C)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.43
HIF1A Q16665 1/20 0.43
MCHR1 Q99705 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL28452168 0.94 HTT (0.69) HTTLMNACYP2D6CYP2C9TSHR
SCHEMBL7462822 0.92 HTT (0.53) HTT
SCHEMBL2638736 0.92 HTT (0.49) HTTLMNATSHRKCNH2HIF1A
Sulfuric Acid SCHEMBL3002566 0.90 HTT (0.66) HTTLMNACYP2D6CYP2C9CYP2C19
Sulfuric Acid SCHEMBL21195034 0.88 HTT (0.63) HTTLMNACYP2D6CYP2C9CYP2C19
SCHEMBL2639200 0.88 HTT (0.63) HTTLMNACYP2D6CYP2C9CYP2C19
SCHEMBL8939409 0.86 HTT (0.58) HTTLMNATSHRKCNH2HIF1A
SCHEMBL11141497 0.86 HTT (0.58) HTTLMNATSHRKCNH2HIF1A
SCHEMBL6929577 0.86 HTT (0.58) HTTLMNATSHRKCNH2HIF1A
SCHEMBL16908422 0.86 HTT (0.46) HTTLMNACYP2D6CYP2C9TSHR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812382-B1 METHOD FOR PRODUCING POLYISOCYANATES BASF SE (DE) 2013-01-23 EP claimed
JP-4794561-B2 2011-10-19 JP claimed
US-7659430-B2 Method for separating hydrogen chloride and phosgene BASF AKTIENGESELLSCHAFT (DE) 2010-02-09 US claimed
EP-1789160-B1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF SE (DE) 2009-11-18 EP claimed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US claimed
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene BASF AKTIENGESELLSCHAFT (DE) 2007-12-20 US claimed
EP-1812382-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP claimed
EP-1789160-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2007-05-30 EP claimed
WO-2006048171-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2006-05-11 WO claimed
WO-2006029788-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2006-03-23 WO claimed
EP-1812382-B1 METHOD FOR PRODUCING POLYISOCYANATES BASF SE (DE) 2013-01-23 EP disclosed
US-7897806-B2 Reacting primary amines with phosgene in ionic liquid as solvent BASF AKTIENGESELLSCHAFT (DE) 2011-03-01 US disclosed
US-20100191010-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 HUNTSMAN INTERNATIONAL LLC (US) 2010-07-29 US disclosed
EP-2173705-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 Huntsman International LLC (US) 2010-04-14 EP disclosed
US-7659430-B2 Method for separating hydrogen chloride and phosgene BASF AKTIENGESELLSCHAFT (DE) 2010-02-09 US disclosed
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene BASF AKTIENGESELLSCHAFT (DE) 2007-12-20 US disclosed
EP-1812382-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP disclosed
EP-1789160-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2007-05-30 EP disclosed
WO-2006048171-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2006-05-11 WO disclosed
WO-2006029788-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2006-03-23 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 (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-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES PGLS, INMT, PNMT HTT 1805/4885LMNA 1276/4885CYP2D6 2045/4885
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene PSPH, SLC9B2, HVCN1 HTT 569/4885LMNA 3631/4885CYP2D6 3921/4885

“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.