SCHEMBL20173269

SCHEMBL20173269

CC(C)(C)c1ccn(C(=O)OCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GRN P28799 2/20 0.43
SORT1 Q99523 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
P2RX4 Q99571 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RX1 P51575 1/20 0.42
P2RX3 P56373 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTRB1 P17538 1/20 0.40
JMJD6 Q6NYC1 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
SCHEMBL20173261 0.82 ALDH1A1 (0.46) HTR2CALDH1A1GRNSORT1NPC1
SCHEMBL20181866 0.81 ALDH1A1 (0.49) HTR2CALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL25933306 0.79 ALDH1A1 (0.46) HTR2CALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL17653840 0.78 CYP1A2 (0.48) HTR2CALDH1A1GRNSORT1NPC1
SCHEMBL21187190 0.78 ALDH1A1 (0.45) HTR2CALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL29010239 0.77 SCN4A (0.48) HTR2CALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL27812967 0.77 KMT2A (0.50) ALDH1A1NPC1RAB9AL3MBTL1P2RX4
SCHEMBL20173268 0.74 ALDH1A1 (0.44) HTR2CALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL20173266 0.74 HTR2C (0.45) HTR2CALDH1A1GRNSORT1NPC1
SCHEMBL15500843 0.72 L3MBTL1 (0.48) ALDH1A1NPC1RAB9AL3MBTL1P2RX4

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 13 patents. 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
US-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION 2021-06-10 US disclosed
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2020-09-08 US disclosed
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS PFIZER INC. 2019-10-31 US disclosed
US-10377762-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2019-08-13 US disclosed
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION 2019-07-25 US disclosed
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-05-28 US disclosed
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-02-19 US disclosed
US-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-01-17 US disclosed
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-01-17 US disclosed
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-06-21 US disclosed
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-05-24 US disclosed
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-05-24 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 (12 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-10377762-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 HTR2C 504/4885ALDH1A1 3154/4885GRN 3679/4885
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RX3 HTR2C 707/4885ALDH1A1 3018/4885GRN 3436/4885
US-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 HTR2C 3833/4885ALDH1A1 3071/4885GRN 2954/4885
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, SLC26A3, P2RY2 HTR2C 504/4885ALDH1A1 3154/4885GRN 3679/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 HTR2C 3833/4885ALDH1A1 3071/4885GRN 2954/4885
US-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 HTR2C 433/4885ALDH1A1 2886/4885GRN 3464/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 HTR2C 3833/4885ALDH1A1 3071/4885GRN 2954/4885
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 HTR2C 433/4885ALDH1A1 2886/4885GRN 3464/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 HTR2C 3997/4885ALDH1A1 2993/4885GRN 3100/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 HTR2C 3997/4885ALDH1A1 2993/4885GRN 3100/4885
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 HTR2C 433/4885ALDH1A1 2886/4885GRN 3464/4885
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 HTR2C 504/4885ALDH1A1 3154/4885GRN 3679/4885

“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.