SCHEMBL13729618

SCHEMBL13729618

CC(C)c1ccc(C(F)(F)F)nn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43
CYP2C19 P33261 1/20 0.43
CRHR2 Q13324 1/20 0.43
CHRNA7 P36544 1/20 0.36
TRPV4 Q9HBA0 1/20 0.34
OGA O60502 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
P2RX3 P56373 5/20 0.31
P2RX2 Q9UBL9 5/20 0.31
IDH1 O75874 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
SCHEMBL18291825 0.83 NOTUM (0.36) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL27812541 0.83 P2RX7 (0.33) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL19962265 0.83 CYP3A4 (0.33) CYP3A4CYP2D6TSHRCRHBPCYP2C19
Hydrochloric Acid SCHEMBL30615183 0.82 CYP3A4 (0.33) CYP3A4CYP2D6TSHRCRHBPCYP2C19
Hydrochloric Acid SCHEMBL28480041 0.82 CYP3A4 (0.33) CYP3A4CYP2D6TSHRCRHBPCYP2C19
Hydrochloric Acid SCHEMBL17823542 0.82 CYP3A4 (0.33) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL24468394 0.80 P2RX3 (0.35) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL31613940 0.80 P2RX3 (0.35) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL10265563 0.80 CHRNA7 (0.36) CHRNA7
SCHEMBL3295796 0.78 TRPV4 (0.48) TSHRTRPV4OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834440-B2 Beta-lactam derivatives for the treatment of diseases INSILICO MEDICINE IP LIMITED (HK) 2023-12-05 US disclosed
US-20230364082-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CONTINEUM THERAPEUTICS, INC. 2023-11-16 US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-11752149-B2 Muscarinic acetylcholine M1 receptor antagonists Pipeline Therapeutics, Inc. (US) 2023-09-12 US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 US disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 US disclosed
US-20230157287-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-25 US disclosed
US-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2016-08-11 US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
US-9238655-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2016-01-19 US disclosed
US-8921353-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-12-30 US disclosed
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH INC (US) 2014-12-25 US disclosed
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2014-07-10 US disclosed
US-8716274-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-05-06 US disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 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 (15 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 CYP3A4 1713/4885CYP2D6 881/4885TSHR 3100/4885
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 CYP3A4 26/4885CYP2D6 15/4885TSHR 4693/4885
US-20230364082-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 CYP3A4 1265/4885CYP2D6 1902/4885TSHR 111/4885
US-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK CYP3A4 879/4885CYP2D6 1096/4885TSHR 2794/4885
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R CYP3A4 1397/4885CYP2D6 2043/4885TSHR 88/4885
US-20230157287-A1 PESTICIDAL COMPOUNDS PNMT, CAT, DDT CYP3A4 628/4885CYP2D6 1185/4885TSHR 2805/4885
US-11752149-B2 Muscarinic acetylcholine M1 receptor antagonists CHRM1, CHRM2, CHRM5 CYP3A4 1265/4885CYP2D6 1902/4885TSHR 111/4885
US-11834440-B2 Beta-lactam derivatives for the treatment of diseases QPCT, QPCTL, BCAT1 CYP3A4 4021/4885CYP2D6 2998/4885TSHR 3851/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CYP3A4 2082/4885CYP2D6 1888/4885TSHR 2900/4885
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 CYP3A4 19/4885CYP2D6 51/4885TSHR 2222/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 CYP3A4 932/4885CYP2D6 1055/4885TSHR 2362/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CYP3A4 1627/4885CYP2D6 1271/4885TSHR 3747/4885
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 CYP3A4 743/4885CYP2D6 752/4885TSHR 2642/4885
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 CYP3A4 932/4885CYP2D6 1055/4885TSHR 2362/4885
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 CYP3A4 743/4885CYP2D6 752/4885TSHR 2642/4885

“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.