SCHEMBL20030197

SCHEMBL20030197

CC(C)[C@@H](N)c1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
HTR3A P46098 1/20 0.43
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
MGAM O43451 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
OGA O60502 1/20 0.39
NQO1 P15559 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CYP2A6 P11509 1/20 0.39
TLR8 Q9NR97 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
BIRC5 O15392 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ABL1 P00519 2/20 0.38

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
SCHEMBL30239388 0.86 CYP1A2 (0.53) CYP1A2HTR3APDGFRBPDGFRAMGAM
SCHEMBL30447104 0.86 CYP1A2 (0.53) CYP1A2HTR3APDGFRBPDGFRAMGAM
SCHEMBL1253863 0.86 CYP1A2 (0.53) CYP1A2HTR3APDGFRBPDGFRAMGAM
SCHEMBL28467592 0.86 CYP1A2 (0.53) CYP1A2HTR3APDGFRBPDGFRAMGAM
SCHEMBL20023742 0.86 CYP1A2 (0.53) CYP1A2HTR3APDGFRBPDGFRAMGAM
Hydrochloric Acid SCHEMBL3634472 0.84 CYP1A2 (0.52) CYP1A2HTR3APDGFRBPDGFRAMGAM
SCHEMBL25085747 0.82 CYP1A2 (0.53) CYP1A2HTR3APDGFRBPDGFRAMGAM
SCHEMBL2607479 0.82 CYP1A2 (0.57) CYP1A2HTR3APDGFRBPDGFRAMGAM
SCHEMBL413133 0.80 KDM4E (0.50) CYP1A2MGAMNPSR1ALDH1A1OGA
SCHEMBL28277282 0.79 CYP1A2 (0.50) CYP1A2HTR3APDGFRBPDGFRAMGAM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339169-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2022-05-24 US disclosed
US-20200190096-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2020-06-18 US disclosed
US-10611768-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2020-04-07 US disclosed
US-20190092778-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2019-03-28 US disclosed
US-10174039-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2019-01-08 US disclosed
US-20180093991-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2018-04-05 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 (6 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-20180093991-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX6, P2RX2 CYP1A2 1779/4885HTR3A 88/4885PDGFRB 739/4885
US-11339169-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX6, P2RX2 CYP1A2 1779/4885HTR3A 88/4885PDGFRB 739/4885
US-20200190096-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX6, P2RX2 CYP1A2 1779/4885HTR3A 88/4885PDGFRB 739/4885
US-20190092778-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX6, P2RX2 CYP1A2 1779/4885HTR3A 88/4885PDGFRB 739/4885
US-10611768-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX6, P2RX2 CYP1A2 1779/4885HTR3A 88/4885PDGFRB 739/4885
US-10174039-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX6, P2RX2 CYP1A2 1779/4885HTR3A 88/4885PDGFRB 739/4885

“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.