SCHEMBL762352

SCHEMBL762352

Cn1cnc2c(C(C)(C)C)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
DPP4 P27487 1/20 0.39
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL24489543 0.86 DDB1 (0.38) DDB1CRBNALDH1A1TSHRGAA
SCHEMBL27249457 0.85 NR1H2 (0.44) DDB1CRBNALDH1A1TSHRGAA
SCHEMBL21846106 0.83 DDB1 (0.36) DDB1CRBNALDH1A1TSHRGAA
SCHEMBL27249578 0.82 AR (0.36) DDB1CRBNALDH1A1TSHRGAA
SCHEMBL4569748 0.80 PI4KA (0.38) ALDH1A1TSHRGAAKDM4ECA2
SCHEMBL13672555 0.77 SMN1; SMN2 (0.40) ALDH1A1KDM4ECA2MAPTTDP1
SCHEMBL22388549 0.77 TLR8 (0.35) DDB1CRBNALDH1A1TSHRGAA
SCHEMBL358722 0.77 DPP4 (0.44) DDB1CRBNALDH1A1TSHRGAA
Hydrochloric Acid SCHEMBL6118670 0.76 DPP4 (0.43) DDB1CRBNALDH1A1TSHRGAA
Hydrochloric Acid SCHEMBL15093741 0.76 DPP4 (0.43) DDB1CRBNALDH1A1TSHRGAA

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors DISC MEDICINE, INC. (US) 2023-11-14 US disclosed
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 US disclosed
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
US-20120245181-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME TREVENA, INC. (US) 2012-09-27 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 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 (11 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 DDB1 2796/4885CRBN 871/4885ALDH1A1 4344/4885
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 DDB1 3732/4885CRBN 2577/4885ALDH1A1 2583/4885
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 DDB1 2796/4885CRBN 871/4885ALDH1A1 4344/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 DDB1 2721/4885CRBN 1771/4885ALDH1A1 894/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 DDB1 4071/4885CRBN 811/4885ALDH1A1 3700/4885
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 DDB1 2793/4885CRBN 1644/4885ALDH1A1 929/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 DDB1 4071/4885CRBN 811/4885ALDH1A1 3700/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 DDB1 3732/4885CRBN 2577/4885ALDH1A1 2583/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP DDB1 1951/4885CRBN 4280/4885ALDH1A1 312/4885
US-20120245181-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME OPRL1, OPRK1, OPRM1 DDB1 4618/4885CRBN 4498/4885ALDH1A1 1225/4885
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors GFPT1, MPST, XPNPEP1 DDB1 1595/4885CRBN 3661/4885ALDH1A1 3127/4885

“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.