SCHEMBL20173261

SCHEMBL20173261

CC(C)(C)c1cn(C(=O)OCc2ccccc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
P2RX4 Q99571 3/20 0.46
P2RX1 P51575 1/20 0.46
P2RX3 P56373 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTR2C P28335 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
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 0.41

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
SCHEMBL20181863 0.84 ALDH1A1 (0.47) ALDH1A1P2RX4P2RX1P2RX3NPC1
SCHEMBL21345531 0.82 P2RX4 (0.48) ALDH1A1P2RX4P2RX1P2RX3NPC1
SCHEMBL20173269 0.82 HTR2C (0.46) ALDH1A1P2RX4P2RX1P2RX3NPC1
SCHEMBL24777725 0.81 ALDH1A1 (0.44) ALDH1A1P2RX4P2RX1P2RX3NPC1
SCHEMBL19726578 0.79 SMN1; SMN2 (0.54) NPC1RAB9AKMT2AMEN1NPSR1
SCHEMBL20173268 0.78 ALDH1A1 (0.44) ALDH1A1P2RX4P2RX1P2RX3NPC1
SCHEMBL20173266 0.78 HTR2C (0.45) ALDH1A1P2RX4P2RX1P2RX3NPC1
SCHEMBL18367652 0.77 SMN1; SMN2 (0.49) NPC1RAB9ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL18367650 0.77 SMN1; SMN2 (0.49) NPC1RAB9ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL21350547 0.75 ALDH1A1 (0.44) ALDH1A1P2RX4P2RX1P2RX3NPC1

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 14 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-10953369-B2 Spirocentric compounds and polymers thereof GEORGIA TECH RESEARCH CORPORATION (US) 2021-03-23 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-20190276454-A1 Spirocentric Compounds and Polymers Thereof GEORGIA TECH RESEARCH CORPORATION 2019-09-12 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 (13 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-20190276454-A1 Spirocentric Compounds and Polymers Thereof PKD1, PKD2, VIM ALDH1A1 2886/4885P2RX4 3092/4885P2RX1 3669/4885
US-10377762-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 ALDH1A1 3154/4885P2RX4 23/4885P2RX1 12/4885
US-10953369-B2 Spirocentric compounds and polymers thereof PKD1, PKD2, VIM ALDH1A1 2886/4885P2RX4 3092/4885P2RX1 3669/4885
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RX3 ALDH1A1 3018/4885P2RX4 11/4885P2RX1 6/4885
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, SLC26A3, P2RY2 ALDH1A1 3154/4885P2RX4 23/4885P2RX1 12/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ALDH1A1 3071/4885P2RX4 5/4885P2RX1 2/4885
US-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 ALDH1A1 2886/4885P2RX4 8/4885P2RX1 6/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 ALDH1A1 3071/4885P2RX4 5/4885P2RX1 2/4885
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 ALDH1A1 2886/4885P2RX4 8/4885P2RX1 6/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 ALDH1A1 2993/4885P2RX4 6/4885P2RX1 2/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 ALDH1A1 2993/4885P2RX4 6/4885P2RX1 2/4885
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 ALDH1A1 2886/4885P2RX4 8/4885P2RX1 6/4885
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 ALDH1A1 3154/4885P2RX4 23/4885P2RX1 12/4885

“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.