SCHEMBL25933306

SCHEMBL25933306

CCc1ccn(C(=O)OCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTR2C P28335 1/20 0.44
P2RX4 Q99571 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CTRB1 P17538 1/20 0.41
JMJD6 Q6NYC1 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACKR3 P25106 1/20 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
SCHEMBL20181866 0.82 ALDH1A1 (0.49) ALDH1A1L3MBTL1NPC1RAB9AHTR2C
SCHEMBL20173269 0.79 HTR2C (0.46) ALDH1A1L3MBTL1NPC1RAB9AHTR2C
SCHEMBL21187190 0.79 ALDH1A1 (0.45) ALDH1A1L3MBTL1NPC1RAB9AHTR2C
SCHEMBL29010239 0.78 SCN4A (0.48) ALDH1A1L3MBTL1NPC1RAB9AHTR2C
SCHEMBL27812967 0.78 KMT2A (0.50) ALDH1A1L3MBTL1NPC1RAB9AP2RX4
SCHEMBL17927808 0.78 CYP1A2 (0.49) ALDH1A1L3MBTL1NPC1RAB9AP2RX4
SCHEMBL23481671 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPC1RAB9AHTR2C
SCHEMBL9880601 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPC1RAB9AHTR2C
SCHEMBL15500843 0.73 L3MBTL1 (0.48) ALDH1A1L3MBTL1NPC1RAB9AP2RX4
SCHEMBL20675615 0.72 ALDH1A1 (0.47) ALDH1A1L3MBTL1NPC1RAB9AHTR2C

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-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 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-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 ALDH1A1 3071/4885L3MBTL1 4203/4885NPC1 1742/4885

“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.