SCHEMBL10196129

SCHEMBL10196129

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALML3 P27482 6/20 0.49
▸ MAOA P21397 8/20 0.43
▸ THRB P10828 1/20 0.41
▸ GRM2 Q14416 1/20 0.40
▸ MAOB P27338 1/20 0.40

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 0.92 CALML3 (0.48) CALML3MAOATHRBGRM2
SCHEMBL10196130 0.90 CALML3 (0.58) CALML3MAOATHRBMAOB
SCHEMBL10196138 0.87 CALML3 (0.49) CALML3MAOAGRM2
SCHEMBL10259390 0.86 MAOA (0.60) CALML3MAOATHRBMAOB
SCHEMBL15502614 0.85 CALML3 (0.43) CALML3MAOATHRB
SCHEMBL10196122 0.85 CALML3 (0.64) CALML3MAOAMAOB
SCHEMBL10196162 0.80 MAOA (0.52) CALML3MAOAGRM2MAOB
SCHEMBL10196131 0.78 CALML3 (0.67) CALML3MAOAMAOB
SCHEMBL10258874 0.78 MAOA (0.61) CALML3MAOATHRBMAOB
SCHEMBL10196113 0.77 CALML3 (0.67) CALML3MAOAMAOB

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 3842/4885MAOA 872/4885THRB 4398/4885
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same PCNA, AADAC, MIF CALML3 3842/4885MAOA 872/4885THRB 4398/4885
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same PCNA, AADAC, MIF CALML3 3842/4885MAOA 872/4885THRB 4398/4885

“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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