SCHEMBL6001737

SCHEMBL6001737

Cc1ccc2ccccc2c1N1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.51
KMT2A Q03164 1/20 0.49
HTR3A P46098 7/20 0.49
CYP1A2 P05177 3/20 0.46
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THPO P40225 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6997562 0.81 CYP1A2 (0.56) HTR3ACYP1A2HTR3EHTR3BHTR3D
SCHEMBL8693928 0.81 HRH4 (0.50) HRH4KMT2AHTR3ACYP1A2HTR3E
SCHEMBL5167342 0.81 HTR3A (0.53) HRH4HTR3ACYP1A2HTR3EHTR3B
SCHEMBL19972406 0.80 HCAR1 (0.43) KMT2ACYP1A2ALDH1A1CYP2A6TSHR
SCHEMBL8082652 0.79 HRH4 (0.48) HRH4KMT2AHTR3ACYP1A2HTR3E
SCHEMBL5167771 0.75 SIRT6 (0.52) HRH4ALDH1A1
SCHEMBL14543377 0.75 ALDH1A1 (0.53) HRH4KMT2AHTR3AHTR3EHTR3B
SCHEMBL1005411 0.74 TSHR (0.47) KMT2ACYP1A2ALDH1A1KDM4ECYP2A6
SCHEMBL1005409 0.74 TSHR (0.47) KMT2ACYP1A2ALDH1A1KDM4ECYP2A6
SCHEMBL16385928 0.73 CYP1A2 (0.45) HTR3ACYP1A2HTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives BASF AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
EP-1603395-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP disclosed
WO-2004080170-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 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 (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-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives CBR3, L3MBTL3, BRS3 HRH4 25/4885KMT2A 2397/4885HTR3A 663/4885

“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.