SCHEMBL10196138

SCHEMBL10196138

CC[C@H]1CN(c2ccc(-c3ccc(OC)cc3OC)c(F)c2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CALML3 P27482 6/20 0.49
▸ GRM2 Q14416 4/20 0.49
▸ MAPT P10636 1/20 0.48
▸ MAOA P21397 4/20 0.45
▸ SIGMAR1 Q99720 3/20 0.44
▸ FADS1 O60427 1/20 0.43

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
SCHEMBL10196140 0.89 CALML3 (0.48) CALML3GRM2MAOA
SCHEMBL10196130 0.87 CALML3 (0.58) CALML3MAOA
SCHEMBL10196129 0.87 CALML3 (0.49) CALML3GRM2MAOA
SCHEMBL10196160 0.83 MAOA (0.54) CALML3GRM2MAOA
SCHEMBL15502614 0.82 CALML3 (0.43) CALML3MAOA
SCHEMBL10196131 0.76 CALML3 (0.67) CALML3MAOA
SCHEMBL10196113 0.75 CALML3 (0.67) CALML3MAOA
SCHEMBL10196158 0.75 CALML3 (0.50) CALML3GRM2MAOA
SCHEMBL3323279 0.75 CALML3 (0.80) CALML3MAOA
SCHEMBL3323276 0.75 CALML3 (0.80) CALML3MAOA

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
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 — — US disclosed
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS, INC. (US) 2015-03-12 — — US disclosed
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-13 — — US disclosed
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same RIB-X PHARMACEUTICALS, INC. 2012-01-12 — — 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 (3 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-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF CALML3 3842/4885GRM2 3878/4885MAPT 4243/4885
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same PCNA, AADAC, MIF CALML3 3842/4885GRM2 3878/4885MAPT 4243/4885
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same PCNA, AADAC, MIF CALML3 3842/4885GRM2 3878/4885MAPT 4243/4885

“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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