SCHEMBL13034745

SCHEMBL13034745

OC[C@@H]1CCCN1CCOc1ccc2c(C3CCNCC3)ccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
HRH3 Q9Y5N1 2/20 0.40
AURKA O14965 2/20 0.40
ESR1 P03372 4/20 0.40
ESRRG P62508 2/20 0.40
ESR2 Q92731 2/20 0.40
MAPK7 Q13164 1/20 0.38
F2 P00734 1/20 0.38
SPHK2 Q9NRA0 4/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 2/20 0.36
SPHK1 Q9NYA1 3/20 0.36
TGFBR1 P36897 1/20 0.36

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
SCHEMBL3568186 0.85 AURKA (0.45) MCHR1CHRM1HTR2AHRH3AURKA
SCHEMBL3568181 0.85 AURKA (0.45) MCHR1CHRM1HTR2AHRH3AURKA
SCHEMBL13034751 0.80 TGFBR1 (0.45) HRH3MAPK7TGFBR1
SCHEMBL3574118 0.80 AURKA (0.49) HRH3AURKASPHK1
SCHEMBL3574113 0.80 AURKA (0.49) HRH3AURKASPHK1
SCHEMBL12049876 0.79 IDO1 (0.41) AURKAMAPK7
SCHEMBL13034746 0.79 POLB (0.44) HRH3MAPK7
SCHEMBL13034748 0.77 MET (0.47) HTR2AHRH3AURKAKCNH2TGFBR1
SCHEMBL4965317 0.72 MAPK7 (0.45) MCHR1CHRM1HTR2AHRH3AURKA
SCHEMBL5604728 0.72 MAPK7 (0.45) MCHR1CHRM1HTR2AHRH3AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825244-B2 Intermediates useful in the synthesis of alkylquinoline and alkylquinazoline kinase modulators, and related methods of synthesis JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US 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-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS FLT3, ABL1, KIT MCHR1 1470/4885CHRM1 1033/4885HTR2A 657/4885

“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.