SCHEMBL171910

SCHEMBL171910

COCCCc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.43
HRH1 P35367 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
AGXT P21549 1/20 0.41
CYP2C19 P33261 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL13979448 0.94 KCNH2 (0.46) KCNH2CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL11959869 0.93 IGF1R (0.50) KCNH2CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL11959854 0.91 IGF1R (0.48) KCNH2CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL14140405 0.91 IGF1R (0.48) KCNH2CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL13681217 0.89 KCNH2 (0.43) KCNH2CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL2612033 0.86 CYP1A2 (0.52) KCNH2CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL21471917 0.85 KCNH2 (0.54) KCNH2DRD2DRD4DRD3LMNA
SCHEMBL21026179 0.83 KCNH2 (0.49) KCNH2DRD2DRD4DRD3LMNA
SCHEMBL18823455 0.82 LPL (0.43) KDM4ELMNAALDH1A1
SCHEMBL20234653 0.81 KCNH2 (0.58) KCNH2CYP1A2CYP2A6TAAR1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11199890-A None JP disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-11834460-B2 Imide-based modulators of proteolysis and associated methods of use YALE UNIVERSITY (US) 2023-12-05 US disclosed
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20230144275-A1 THERMOSENSITIVE RECORDING MEDIUM NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2023-05-11 US disclosed
WO-2012029326-A1 3-PYRAZOLYL-2-PYRIDONE DERIVATIVE 大正製薬株式会社 (JP) 2012-03-08 WO disclosed
EP-2426125-A1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-20100234368-A1 CONDENSED RING COMPOUND AND USE THEREOF TAKEUCHI JUN 2010-09-16 US disclosed
US-20100234368-A1 CONDENSED RING COMPOUND AND USE THEREOF TAKEUCHI JUN 2010-09-16 US disclosed
US-7763610-B2 Carboxylic acid derived benzoxazines as agents for the treatment of respiratory diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-7763610-B2 Carboxylic acid derived benzoxazines as agents for the treatment of respiratory diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
JP-H11199890-A USE OF 1-METHOXY-2-METHYL-3-PHENYLPROPANE, 1-(2-METHOXYPROPYL)-4-METHYLBENZENE AND 3-METHOXY-2,2,3-TRIMETHYL-1-PHENYLBUTANE IN PERFUME FIRMENICH SA 1999-07-27 JP 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 (7 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-20100234368-A1 CONDENSED RING COMPOUND AND USE THEREOF CYSLTR2, CYSLTR1, LTB4R2 KCNH2 1373/4885CYP1A2 338/4885CYP2A6 1570/4885
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 KCNH2 4867/4885CYP1A2 4681/4885CYP2A6 4070/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 KCNH2 4850/4885CYP1A2 4854/4885CYP2A6 4601/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 KCNH2 322/4885CYP1A2 678/4885CYP2A6 1213/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN KCNH2 4836/4885CYP1A2 4449/4885CYP2A6 4425/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL KCNH2 4805/4885CYP1A2 4693/4885CYP2A6 4336/4885
US-11834460-B2 Imide-based modulators of proteolysis and associated methods of use CRBN, MDM2, UBE2N KCNH2 4858/4885CYP1A2 4002/4885CYP2A6 3037/4885

“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.