SCHEMBL22954280

SCHEMBL22954280

FC(F)Oc1cccc(-c2ccccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.51
▸ MAP4K4 O95819 1/20 0.50
▸ DRD1 P21728 1/20 0.48
▸ GRM5 P41594 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ TGFBR1 P36897 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR7 P34969 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
SCHEMBL30117418 1.00 GRM4 (0.51) GRM4MAP4K4DRD1GRM5KDM4E
SCHEMBL17099766 0.88 GRM5 (0.42) GRM4MAP4K4GRM5KDM4ENPC1
SCHEMBL8252632 0.84 GABRA1 (0.54) MAP4K4GRM5KDM4ENPC1PKM
SCHEMBL21816566 0.81 CYP1A2 (0.54) GRM4DRD1KDM4ENPC1PKM
SCHEMBL17500184 0.81 GRM5 (0.49) MAP4K4GRM5KDM4ENPC1PKM
SCHEMBL31187765 0.81 GRM5 (0.49) MAP4K4GRM5KDM4ENPC1PKM
SCHEMBL17100103 0.81 GRM5 (0.67) GRM5KCNH2
SCHEMBL23526602 0.80 GRM5 (0.48) MAP4K4GRM5KDM4ENPC1PKM
SCHEMBL31083655 0.80 GRM5 (0.48) MAP4K4GRM5KDM4ENPC1PKM
SCHEMBL4121987 0.79 CNR1 (0.67) GRM4KDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 — — US disclosed
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 — — US disclosed
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-02-04 — — 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 (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-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME AFF2, AFF4, AFF1 GRM4 2544/4885MAP4K4 3812/4885DRD1 1630/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 GRM4 2544/4885MAP4K4 3812/4885DRD1 1630/4885

“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.

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