SCHEMBL7937557

SCHEMBL7937557

COc1ccc(F)c(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 1/20 0.43
ADRA2A P08913 2/20 0.43
ADRA1A P35348 2/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.41
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40

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
SCHEMBL17115832 0.85 CYP2D6 (0.43) CYP2D6CYP1A2CYP2A6ADRA2AADRA1A
SCHEMBL31119095 0.84 CYP2D6 (0.43) CYP2D6CYP1A2ADRA2AADRA1AMEN1
SCHEMBL20238552 0.84 CYP2D6 (0.53) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL2823287 0.84 CYP2D6 (0.53) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL31119047 0.84 ADRA2A (0.49) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL3702003 0.84 CYP2D6 (0.53) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL16960809 0.84 CYP2D6 (0.43) CYP2D6CYP1A2ADRA2AADRA1AMEN1
SCHEMBL25626349 0.84 CYP2D6 (0.43) CYP2D6CYP1A2ADRA2AADRA1AMEN1
SCHEMBL8241491 0.83 CA12 (0.45) CYP2D6CYP1A2CYP2A6ADRA2AADRA1A
SCHEMBL31063437 0.83 CA12 (0.45) CYP2D6CYP1A2CYP2A6ADRA2AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
EP-3956320-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-11-29 EP disclosed
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION AMGEN INC. (US) 2023-11-16 US disclosed
US-11793771-B2 Immunomodulator compounds CHEMOCENTRYX, INC. (US) 2023-10-24 US disclosed
US-11759458-B2 Indane-amines as PD-L1 antagonists CHEMOCENTRYX, INC. (US) 2023-09-19 US disclosed
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230174521-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-06-08 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
WO-2023086539-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2023-05-19 WO disclosed
US-20230135894-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 US disclosed
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 US disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 US disclosed
WO-2007145569-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO 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 (12 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-20230135894-A1 MK2 DEGRADERS AND USES THEREOF MKNK2, MKRN3, DUS2 CYP2D6 474/4885CYP1A2 74/4885CYP2A6 604/4885
US-20070299087-A1 New Compounds 319 PSEN2, PSEN1, MAPT CYP2D6 4190/4885CYP1A2 3794/4885CYP2A6 4017/4885
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 CYP2D6 1390/4885CYP1A2 2589/4885CYP2A6 2261/4885
US-11793771-B2 Immunomodulator compounds IL2, IL2RA, C3AR1 CYP2D6 638/4885CYP1A2 926/4885CYP2A6 790/4885
US-20080058349-A1 New Compounds 318 PSEN2, PSEN1, MAPT CYP2D6 4314/4885CYP1A2 3831/4885CYP2A6 4168/4885
US-20080051420-A1 New Compounds 317 PSEN2, PSEN1, MAPT CYP2D6 4357/4885CYP1A2 3812/4885CYP2A6 4222/4885
US-20230174521-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 CYP2D6 620/4885CYP1A2 299/4885CYP2A6 676/4885
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION MCL1, BAK1, BCL2A1 CYP2D6 1853/4885CYP1A2 1593/4885CYP2A6 3440/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR CYP2D6 790/4885CYP1A2 1189/4885CYP2A6 551/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 CYP2D6 460/4885CYP1A2 380/4885CYP2A6 775/4885
US-11759458-B2 Indane-amines as PD-L1 antagonists CD274, PDCD1LG2, PDCD1 CYP2D6 739/4885CYP1A2 489/4885CYP2A6 2409/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 CYP2D6 3832/4885CYP1A2 2692/4885CYP2A6 4021/4885

“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.