SCHEMBL5458387

SCHEMBL5458387

c1cc2cc3c(cc2[nH]1)CCCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.43
HTR2C P28335 1/20 0.43
GPR84 Q9NQS5 1/20 0.39
AHR P35869 5/20 0.38
CMA1 P23946 1/20 0.38
TYR P14679 1/20 0.38
NOTUM Q6P988 1/20 0.37
RIPK1 Q13546 1/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CYP2A6 P11509 2/20 0.35
CSNK2A1 P68400 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPP2 Q13822 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 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
SCHEMBL30460411 0.90 GPR84 (0.41) GPR84AHRCMA1TYRDYRK1A
SCHEMBL6115227 0.90 GPR84 (0.41) GPR84AHRCMA1TYRDYRK1A
SCHEMBL19426561 0.83 GPR84 (0.41) GPR84AHRCMA1TYRDYRK1A
SCHEMBL3905543 0.78 GPR84 (0.47) GPR84AHRCMA1TYRCYP2A6
SCHEMBL24086184 0.76 GPR84 (0.48) GPR84AHRCMA1TYRCYP2A6
Indole SCHEMBL28270064 0.74 ITGB2 (0.53) HTR1DHTR2CAHRNOTUMRIPK1
SCHEMBL26130820 0.73 CHEK1 (0.42) HTR1DHTR2CNOTUMRIPK1DYRK1A
SCHEMBL29834809 0.73 CTNNB1 (0.45) NOTUMRIPK1CLK1DYRK1ADYRK1B
SCHEMBL29755838 0.71 GPR84 (0.47) GPR84AHRCMA1TYRCYP2A6
SCHEMBL612104 0.71 GPR84 (0.47) GPR84AHRCMA1TYRCYP2A6

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-20070105889-A1 Condensed indoline derivatives and their use as 5HT , in particular 5hHT2c, receptor ligands VERNALIS RESEARCH LIMITED 2007-05-10 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-20070105889-A1 Condensed indoline derivatives and their use as 5HT , in particular 5hHT2c, receptor ligands HTR2C, HTR2A, HTR5A HTR1D 13/4885HTR2C 1/4885GPR84 87/4885

“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.