SCHEMBL4553634

SCHEMBL4553634

Cc1c(C2CCNCC2)ccc2nc(N)c(C(=O)O)c(-c3ccccc3)c12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
HTR6 P50406 3/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 1/20 0.38
GABRA1 P14867 7/20 0.37
GABRB2 P47870 7/20 0.37
DHODH Q02127 1/20 0.36
IKBKB O14920 2/20 0.36
CHUK O15111 1/20 0.36
FABP3 P05413 1/20 0.35
PRNP P04156 1/20 0.35
PPARG P37231 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL4360505 0.75 DHODH (0.47) FABP4DHODHFABP3PRNPPPARG
SCHEMBL4553637 0.71 TBK1 (0.43) HTR2CFABP4FABP5GABRA1GABRB2
SCHEMBL4362424 0.70 ELANE (0.44) FABP4FABP5DHODHFABP3
SCHEMBL17323546 0.67 HTR2C (0.51) HTR2CHTR6GABRA1GABRB2
SCHEMBL13646083 0.66 HTR2C (0.61) HTR2CHTR6
SCHEMBL27584180 0.65 HTR2C (0.49) HTR2CGABRA1GABRB2
SCHEMBL11012434 0.65 KDM4E (0.51) FABP4DHODHFABP3PRNPPPARG
SCHEMBL2152544 0.64 HTR6 (0.47) HTR2CHTR6GABRA1GABRB2
SCHEMBL743113 0.64 ALDH1A1 (0.47)
SCHEMBL620681 0.63 HSD17B10 (0.46) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270450-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-10-29 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-20090270450-A1 CHEMICAL COMPOUNDS CSF1R, CSF3R, FLT3 HTR2C 4446/4885HTR6 4502/4885FABP4 1756/4885

“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.