SCHEMBL19174820

SCHEMBL19174820

CC(C)C1=CC2CCC(C1)N2C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.45
▸ SLC6A4 P31645 5/20 0.45
▸ SLC6A3 Q01959 5/20 0.45
▸ HTR6 P50406 1/20 0.36
▸ MAPK1 P28482 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ OPRM1 P35372 2/20 0.31
▸ OPRD1 P41143 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GLA P06280 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL25492728 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR6MAPK1
SCHEMBL18798943 0.81 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL16000535 0.81 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL17427854 0.81 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL19432816 0.78 SIGMAR1 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL20117033 0.75 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HTR6MAPK1
SCHEMBL12723078 0.75 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HTR6MAPK1
SCHEMBL18798927 0.74 — —
SCHEMBL25152671 0.73 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR6MAPK1
SCHEMBL24364555 0.73 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR6MAPK1

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-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 — — US disclosed
US-20230159496-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. 2023-05-25 — — US disclosed
US-11530197-B2 Analogs for the treatment of disease INSILICO MEDICINE IP LIMITED (HK) 2022-12-20 — — US disclosed
US-11530199-B2 Analogs for the treatment of disease INSILICO MEDICINE IP LIMITED (HK) 2022-12-20 — — US disclosed
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2019-02-05 — — US disclosed
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2017-07-27 — — 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-10196364-B2 Pyrimidine carboxamides as sodium channel blockers CACNA1A, TRPV1, TRPA1 SLC6A2 180/4885SLC6A4 135/4885SLC6A3 235/4885
US-11530199-B2 Analogs for the treatment of disease MAP4K4, MAP4K5, MAP4K2 SLC6A2 1879/4885SLC6A4 987/4885SLC6A3 3407/4885
US-20230159496-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING RBM17, SNRPA, SNRPA1 SLC6A2 4130/4885SLC6A4 3539/4885SLC6A3 4113/4885
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 SLC6A2 180/4885SLC6A4 135/4885SLC6A3 235/4885
US-11530197-B2 Analogs for the treatment of disease MAP4K4, MAP4K5, MAP4K2 SLC6A2 1879/4885SLC6A4 987/4885SLC6A3 3407/4885
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 SLC6A2 2043/4885SLC6A4 2410/4885SLC6A3 2241/4885

“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.

Send feedback