SCHEMBL2891337

SCHEMBL2891337

CCN(CC)CCCOc1ccc(N)c(OCCCN(CC)CC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
SLC6A2 P23975 1/20 0.55
SCN1A P35498 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KCNH2 Q12809 1/20 0.55
HIF1A Q16665 1/20 0.55
SCN2A Q99250 1/20 0.55
SCN3A Q9NY46 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
RAD52 P43351 1/20 0.54
MAOB P27338 3/20 0.51
XDH P47989 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
MAOA P21397 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL2891507 0.97 CYP1A2 (0.60) KDM4ECYP1A2CYP2D6TSHRSLC6A2
SCHEMBL4983140 0.87 KDM4E (0.62) KDM4ETSHRMAOBXDHSIGMAR1
SCHEMBL8397383 0.83 CYP1A2 (0.61) KDM4ECYP1A2CYP2D6TSHRSLC6A2
SCHEMBL2966830 0.83 ALDH1A1 (0.53) KDM4ECYP1A2CYP2D6TSHRSLC6A2
SCHEMBL5240129 0.82 KDM4E (0.56) KDM4ETSHRMAOBXDHSIGMAR1
SCHEMBL1286519 0.81 KDM4E (0.48) KDM4ECYP1A2CYP2D6TSHRSLC6A2
SCHEMBL11806365 0.80 MAPT (0.53) KDM4ECYP1A2CYP2D6TSHRSLC6A2
SCHEMBL4983089 0.80 KDM4E (0.54) KDM4EMAOBXDHSIGMAR1MAOA
SCHEMBL11709795 0.79 KDM4E (0.52) KDM4EHRH3MAOBSIGMAR1MAOA
SCHEMBL4980460 0.79 KDM4E (0.52) KDM4EMAOBXDHSIGMAR1MAOA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286197-A1 Carboxamide Derivatives As Therapeutic Agents TRANSTECH PHARMA, INC. 2010-11-11 US disclosed
US-7776919-B2 Carboxamide derivatives as therapeutic agents TransTech Pharm, Inc. (US) 2010-08-17 US disclosed
US-7423177-B2 Carboxamide derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-09-09 US disclosed
US-20080119512-A1 Carboxamide Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2008-05-22 US disclosed
EP-1377295-A4 CARBOXAMIDE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2007-05-09 EP disclosed
EP-1377295-A2 CARBOXAMIDE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2004-01-07 EP disclosed
US-20020193432-A1 Carboxamide derivatives as therapeutic agents VTVX HOLDINGS I LLC 2002-12-19 US disclosed
WO-2002070473-A2 CARBOXAMIDE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2002-09-12 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 (3 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-20100286197-A1 Carboxamide Derivatives As Therapeutic Agents AGER, S100B, S100A4 KDM4E 2929/4885CYP1A2 3342/4885CYP2D6 4139/4885
US-20020193432-A1 Carboxamide derivatives as therapeutic agents AGER, S100B, S100A4 KDM4E 2900/4885CYP1A2 3532/4885CYP2D6 4127/4885
US-20080119512-A1 Carboxamide Derivatives as Therapeutic Agents AGER, S100B, S100A4 KDM4E 2929/4885CYP1A2 3342/4885CYP2D6 4139/4885

“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.