SCHEMBL21768199

SCHEMBL21768199

CCCc1cccc(I)c1CCl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
DAO P14920 1/20 0.32
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
IDO1 P14902 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
GRM5 P41594 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
SCHEMBL30831840 1.00 TAAR1 (0.35) TAAR1GABRA1GABRB2DAOLTB4R
SCHEMBL30831845 0.84 GABRA1 (0.46) TAAR1GABRA1GABRB2DAOIDO1
SCHEMBL21768207 0.84 GABRA1 (0.46) TAAR1GABRA1GABRB2DAOIDO1
SCHEMBL25307010 0.81 TAAR1 (0.37) TAAR1GABRA1GABRB2IDO1
SCHEMBL28059840 0.77 KDM4E (0.40) TAAR1
SCHEMBL31737938 0.77 CYP2D6 (0.33) TAAR1GABRA1GABRB2DAOLTB4R
SCHEMBL30464079 0.74 TAAR1 (0.60) TAAR1PPARGPPARAIDO1ADRA2A
SCHEMBL4201453 0.74 TAAR1 (0.60) TAAR1PPARGPPARAIDO1ADRA2A
SCHEMBL29263407 0.74 LIPG (0.39) TAAR1PPARGPPARA
SCHEMBL1452942 0.74 ALDH1A1 (0.41) GABRA1GABRB2DAOLTB4RLTB4R2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110536885-B Process for producing difluoromethylene compound 佐藤制药株式会社 2024-03-08 CN disclosed
US-11084792-B2 Method for producing difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2021-08-10 US disclosed
US-20200190038-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2020-06-18 US disclosed
EP-3617197-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND Sato Pharmaceutical Co., Ltd. (JP) 2020-03-04 EP 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 (2 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-20200190038-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND HACL2, MGLL, ABL1 TAAR1 220/4885GABRA1 2857/4885GABRB2 3511/4885
US-11084792-B2 Method for producing difluoromethylene compound HACL2, MGLL, ABL1 TAAR1 220/4885GABRA1 2857/4885GABRB2 3511/4885

“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.