SCHEMBL20713622

SCHEMBL20713622

CC(C)Cc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CYP2A6 P11509 1/20 0.45
PNMT P11086 2/20 0.44
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ABL1 P00519 1/20 0.40
ALOX5AP P20292 3/20 0.40

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
SCHEMBL17229287 0.94 HTR2A (0.46) HTR2AHTR2CHTR2BCYP2A6PNMT
SCHEMBL28292686 0.87 HTR2A (0.57) HTR2AHTR2CHTR2BCYP2A6GABRA1
SCHEMBL3677922 0.79 HTR2A (0.71) HTR2AHTR2CHTR2BCYP2A6GABRA1
SCHEMBL764989 0.78 SLC6A2 (0.67) HTR2ASLC6A2SLC6A3ALOX5AP
SCHEMBL24819489 0.78 HTR2A (0.48) HTR2AHTR2CHTR2BCYP2A6GABRA1
SCHEMBL11405537 0.78 HTR2A (0.63) HTR2AHTR2CHTR2BCYP2A6GABRA1
SCHEMBL6566399 0.78 CYP2A6 (0.54) HTR2AHTR2CHTR2BCYP2A6GABRA1
SCHEMBL14018676 0.77 CYP2A6 (0.61) CYP2A6
SCHEMBL22095510 0.76 HTR2A (0.47) HTR2AHTR2CHTR2BGABRA1GABRB2
SCHEMBL2049886 0.76 GABRA1 (0.53) HTR2AHTR2CHTR2BGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 US disclosed
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO 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 (2 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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 HTR2A 3065/4885HTR2C 3437/4885HTR2B 2110/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 HTR2A 3065/4885HTR2C 3437/4885HTR2B 2110/4885

“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.