SCHEMBL16373532

SCHEMBL16373532

CNCCc1cnn(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
HCAR2 Q8TDS4 2/20 0.49
CYP2C9 P11712 1/20 0.49
DRD4 P21917 10/20 0.49
DRD2 P14416 6/20 0.49
DRD3 P35462 6/20 0.49
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 2/20 0.46
HTR2C P28335 4/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NR4A1 P22736 1/20 0.44
MPI P34949 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4810042 0.83 DRD4 (0.51) HCAR2CYP2C9DRD4DRD2DRD3
SCHEMBL17788488 0.83 HCAR2 (0.46) HCAR2CYP2C9DRD4DRD2DRD3
SCHEMBL15779863 0.81 DRD4 (0.53) HCAR2CYP2C9DRD4DRD2DRD3
SCHEMBL15945060 0.81 DRD4 (0.55) HCAR2CYP2C9DRD4DRD2DRD3
SCHEMBL17273755 0.80 HCAR2 (0.49) HCAR2CYP2C9DRD4DRD2DRD3
SCHEMBL16867187 0.78 GAA (0.55) HCAR2CYP2C9DRD4DRD2DRD3
SCHEMBL2241242 0.78 DRD4 (0.53) TAAR1HCAR2CYP2C9DRD4DRD2
SCHEMBL20083830 0.78 DRD4 (0.53) HCAR2CYP2C9DRD4DRD2DRD3
SCHEMBL9608917 0.78 DRD4 (0.55) HCAR2CYP2C9DRD4DRD2DRD3
SCHEMBL27968359 0.78 DRD4 (0.55) HCAR2CYP2C9DRD4DRD2DRD3

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-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
WO-2014210159-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2014-12-31 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 (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-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY CFTR, HSP90B1, SERPINB1 ATM 3539/4885TAAR1 4242/4885HCAR2 3781/4885

“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.