SCHEMBL22393733

SCHEMBL22393733

CCC1(C(C)C)Cc2ccccc2[C@H]1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.38
PRCP P42785 2/20 0.36
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
KDM1A O60341 3/20 0.33
RCOR1 Q9UKL0 3/20 0.33
HTR2C P28335 2/20 0.33
HRH1 P35367 2/20 0.33
RET P07949 1/20 0.33
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1B P35368 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
CHRM3 P20309 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL25801830 0.79 PTPN11 (0.33) KCNH2
SCHEMBL25802341 0.79 PTPN11 (0.33)
SCHEMBL21397678 0.76 HTR2A (0.39) HTR2ACYP2D6SLC6A2SLC6A4KDM1A
SCHEMBL22393599 0.76 HTR2A (0.42) HTR2APRCPCYP2D6SLC6A2SLC6A4
SCHEMBL25801832 0.76 KCNH2 (0.33) HRH1ADRA2BADRA2CADRA2ACHRM1
SCHEMBL25803172 0.76 PTPN11 (0.34) KCNH2
SCHEMBL24375017 0.75
SCHEMBL21887274 0.75 HTR2A (0.41) HTR2APRCPKDM1AHTR2CHRH1
SCHEMBL24389159 0.75 HTR2A (0.38) HTR2AKDM1A
SCHEMBL25801828 0.72 HTR2A (0.39) HTR2APRCPKDM1A

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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-07-06 US disclosed
US-10894797-B2 Fused tricyclic ring derivatives as SRC homology-2 phosphatase inhibitors NIKANG THERAPEUTICS, INC. (US) 2021-01-19 US disclosed
US-20200277308-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS NIKANG THERAPEUTICS, INC. 2020-09-03 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 (3 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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF PTPN5, PTPN1, PTPN2 HTR2A 2901/4885PRCP 489/4885CYP2D6 1425/4885
US-20200277308-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS SRC, PTPRCAP, PTPRC HTR2A 3038/4885PRCP 804/4885CYP2D6 4506/4885
US-10894797-B2 Fused tricyclic ring derivatives as SRC homology-2 phosphatase inhibitors SRC, PTPRCAP, PTPRC HTR2A 3038/4885PRCP 804/4885CYP2D6 4506/4885

“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.