SCHEMBL4490090

SCHEMBL4490090

COC(=O)c1cnn2c(NCCC(C)C)c(C3CCCC3)c(Cl)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.45
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 4/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CSNK1D P48730 1/20 0.34
TYK2 P29597 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL4499877 0.91 ALDH1A1 (0.40) HTR2CKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4506359 0.83 HTR2C (0.47) HTR2CKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4490087 0.83 HTR2C (0.47) HTR2CKDM4EALDH1A1HSD17B10HPGD
SCHEMBL13606372 0.81 HTR2C (0.45) HTR2CKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4502692 0.81 HTR2C (0.54) HTR2CKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4511725 0.80 HTR2C (0.38) HTR2CKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4499873 0.74 ALDH1A1 (0.40) HTR2CKDM4EALDH1A1HSD17B10HPGD
SCHEMBL13606379 0.74 ALDH1A1 (0.40) HTR2CKDM4EALDH1A1HSD17B10HPGD
SCHEMBL13606374 0.74 ALDH1A1 (0.40) HTR2CKDM4EALDH1A1HSD17B10HPGD
SCHEMBL13606380 0.73 HTR2C (0.42) HTR2CKDM4EALDH1A1HSD17B10HPGD

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-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-20050187224-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2005-08-25 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-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 HTR2C 993/4885KDM4E 2400/4885ALDH1A1 535/4885

“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.