SCHEMBL18911985

SCHEMBL18911985

Cc1cc2ccn(CC(N)=O)c2cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.46
HTR2C P28335 6/20 0.46
GRIN2B Q13224 9/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR2B P41595 1/20 0.39
NPY5R Q15761 1/20 0.38
GRIN1 Q05586 2/20 0.38
KCNH2 Q12809 2/20 0.38
LMNA P02545 1/20 0.37
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL18912167 0.87 GRIN2B (0.52) HTR2AHTR2CGRIN2BNPY5RKMT2A
SCHEMBL21872944 0.85 HTR2C (0.46) HTR2AHTR2CGRIN2BCYP1A2CYP3A4
SCHEMBL21936469 0.83 GRIN2B (0.55) HTR2AHTR2CGRIN2BGRIN1KCNH2
SCHEMBL10165538 0.83 GRIN2B (0.55) HTR2AHTR2CGRIN2BNPY5RGRIN1
SCHEMBL18911988 0.83 NPY5R (0.43) HTR2AHTR2CGRIN2BCYP3A4CYP2C9
SCHEMBL21872463 0.81 HTR2C (0.43) HTR2AHTR2CGRIN2BCYP1A2CYP3A4
SCHEMBL18911998 0.79 HTR2A (0.40) HTR2AHTR2CCYP1A2CYP3A4CYP2C9
SCHEMBL18911877 0.77 HTR2C (0.53) HTR2AHTR2CGRIN2BCYP1A2CYP3A4
SCHEMBL31177216 0.77 HTR2C (0.55) HTR2AHTR2CGRIN2BNPY5RLMNA
SCHEMBL2014724 0.77 HTR2C (0.55) HTR2AHTR2CNPY5RLMNAKMT2A

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
EP-3381896-B1 BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2023-01-18 EP disclosed
US-20210177826-A1 ANTI-TUMOR EFFECT POTENTIATOR USING NOVEL BIPHENYL COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 US disclosed
US-20210179634-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 US disclosed
US-10723742-B2 Biphenyl compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-07-28 US disclosed
US-20200190175-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-06-18 US disclosed
WO-2017090756-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-06-01 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 (4 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-20210177826-A1 ANTI-TUMOR EFFECT POTENTIATOR USING NOVEL BIPHENYL COMPOUND KDM1B, KDM1A, DOT1L HTR2A 2201/4885HTR2C 3190/4885GRIN2B 635/4885
US-10723742-B2 Biphenyl compound or salt thereof KDM1B, BMI1, HDAC1 HTR2A 3613/4885HTR2C 3831/4885GRIN2B 1406/4885
US-20200190175-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 INMT, CARM1, KDM1B HTR2A 1857/4885HTR2C 2923/4885GRIN2B 2642/4885
US-20210179634-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF KDM1B, KDM1A, HDAC1 HTR2A 3846/4885HTR2C 3819/4885GRIN2B 1569/4885

“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.