SCHEMBL6023643

SCHEMBL6023643

CC(=O)NCC1CN(c2ccc(-c3ccc(CN(C)CCCF)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.57
CALML3 P27482 7/20 0.53
MAOB P27338 2/20 0.53
PTGS1 P23219 2/20 0.53
SDHA P31040 2/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL6023640 1.00 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6029785 0.95 MAOA (0.58) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6023800 0.93 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6023804 0.93 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL5531234 0.92 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL5531236 0.92 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6023690 0.90 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6023688 0.90 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6023221 0.89 MAOA (0.59) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6023227 0.89 MAOA (0.59) MAOACALML3MAOBPTGS1SDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129259-B2 Halogenated biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2006-10-31 US disclosed
EP-1713785-A1 HALOGENATED BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Rib-X Pharmaceuticals, Inc. (US) 2006-10-25 EP disclosed
US-20060148869-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same CHEN SHILI 2006-07-06 US disclosed
US-20050153971-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-07-14 US disclosed
WO-2005061468-A1 HALOGENATED BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2005-07-07 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 (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-20050153971-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same PROKR1, PROKR2, PCNA MAOA 1365/4885CALML3 4062/4885MAOB 1682/4885
US-20060148869-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same PCNA, PROKR1, BCOR MAOA 1171/4885CALML3 4101/4885MAOB 1454/4885

“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.