SCHEMBL2891507

SCHEMBL2891507

CCCCOc1cc(OCCCN(CC)CC)ccc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
SLC6A2 P23975 1/20 0.60
SCN1A P35498 1/20 0.60
SLC6A3 Q01959 1/20 0.60
KCNH2 Q12809 1/20 0.60
HIF1A Q16665 1/20 0.60
SCN2A Q99250 1/20 0.60
SCN3A Q9NY46 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
RAD52 P43351 1/20 0.58
KDM4E B2RXH2 2/20 0.56
MAOB P27338 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
XDH P47989 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL2891337 0.97 KDM4E (0.59) CYP1A2CYP2D6TSHRSLC6A2SCN1A
SCHEMBL8397383 0.87 CYP1A2 (0.61) CYP1A2CYP2D6TSHRSLC6A2SCN1A
SCHEMBL4983140 0.84 KDM4E (0.62) TSHRKDM4EMAOBXDHSIGMAR1
SCHEMBL11806365 0.81 MAPT (0.53) CYP1A2CYP2D6TSHRSLC6A2SCN1A
SCHEMBL2966830 0.81 ALDH1A1 (0.53) CYP1A2CYP2D6TSHRSLC6A2SCN1A
SCHEMBL1283645 0.80 KDM4E (0.50) CYP1A2CYP2D6TSHRSLC6A2SCN1A
SCHEMBL5240129 0.79 KDM4E (0.56) TSHRKDM4EMAOBXDHSIGMAR1
SCHEMBL13439964 0.79 CYP2D6 (0.89) CYP1A2CYP2D6TSHRSLC6A2SCN1A
SCHEMBL1286519 0.79 KDM4E (0.48) CYP1A2CYP2D6TSHRSLC6A2SCN1A
SCHEMBL4980706 0.78 KDM4E (0.51) CYP1A2CYP2D6TSHRSLC6A2SCN1A

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 CYP1A2 3342/4885CYP2D6 4139/4885TSHR 4283/4885
US-20020193432-A1 Carboxamide derivatives as therapeutic agents AGER, S100B, S100A4 CYP1A2 3532/4885CYP2D6 4127/4885TSHR 4257/4885
US-20080119512-A1 Carboxamide Derivatives as Therapeutic Agents AGER, S100B, S100A4 CYP1A2 3342/4885CYP2D6 4139/4885TSHR 4283/4885

“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.