SCHEMBL16242005

SCHEMBL16242005

[CH2]OC1c2ccccc2CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.47
HTR2A P28223 1/20 0.47
CHRNA7 P36544 3/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
IDO1 P14902 4/20 0.44
ACP3 P15309 1/20 0.44
PDPK1 O15530 1/20 0.39

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
SCHEMBL434315 0.81 CHRNA7 (0.56) RETHTR2ACHRNA7CHRNB2CHRNA4
SCHEMBL8212470 0.77 CHRNA7 (0.49) RETHTR2ACHRNA7CHRNB2CHRNA4
SCHEMBL447419 0.74 IDO1 (0.66) RETHTR2AIDO1PDPK1
SCHEMBL7871424 0.73 HTR2A (0.52) RETHTR2AIDO1ACP3PDPK1
SCHEMBL25174905 0.73 HTR2A (0.47) RETHTR2ACHRNA7CHRNB2CHRNA4
SCHEMBL30096726 0.73 HTR2A (0.47) RETHTR2ACHRNA7CHRNB2CHRNA4
SCHEMBL13412792 0.72 CYP3A4 (0.53) RETHTR2ACHRNA7CHRNB2CHRNA4
SCHEMBL13447594 0.72 HTR2A (0.47) RETHTR2ACHRNA7CHRNB2CHRNA4
SCHEMBL19997052 0.72 HTR2A (0.56) RETHTR2AIDO1ACP3PDPK1
SCHEMBL6003168 0.71 IDO1 (0.68) CYP2D6IDO1

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-20140371459-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-12-18 US disclosed
EP-2805948-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF Santen Pharmaceutical Co., Ltd (JP) 2014-11-26 EP 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-20140371459-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF NR3C2, NR5A1, NR3C1 RET 1677/4885HTR2A 2797/4885CHRNA7 1907/4885

“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.