SCHEMBL4986591

SCHEMBL4986591

O=C1C[C@@H](C(=O)O)[C@H](c2ccccc2Br)C[C@H]1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HTR2C P28335 4/20 0.39
▸ HTR2B P41595 4/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ BACE1 P56817 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ FABP5 Q01469 1/20 0.35
▸ EDNRB P24530 2/20 0.33
▸ EDNRA P25101 2/20 0.33
▸ MAP1LC3B Q9GZQ8 1/20 0.33
▸ FFAR1 O14842 1/20 0.33

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
SCHEMBL4126357 0.81 KDM1A (0.52) KDM1AHDAC4HTR2CHTR2BSLC6A2
SCHEMBL30681455 0.81 KDM1A (0.52) KDM1AHDAC4HTR2CHTR2BSLC6A2
SCHEMBL3476313 0.81 KDM1A (0.52) KDM1AHDAC4HTR2CHTR2BSLC6A2
SCHEMBL13742600 0.81 KDM1A (0.52) KDM1AHDAC4HTR2CHTR2BSLC6A2
SCHEMBL4987635 0.75 KDM1A (0.42) KDM1AHDAC4HTR2CHTR2BSLC6A2
SCHEMBL4987557 0.75 BACE1 (0.40) KDM1AHDAC4HTR2CHTR2BSLC6A2
SCHEMBL4982381 0.71 POLB (0.45) KDM1AHDAC4HTR2CHTR2BSLC6A2
SCHEMBL4138471 0.70 KDM1A (0.55) KDM1AHDAC4HTR2CHTR2BSLC6A2
SCHEMBL4138468 0.70 KDM1A (0.55) KDM1AHDAC4HTR2CHTR2BSLC6A2
SCHEMBL1817989 0.70 BACE1 (0.61) KDM1AHDAC4HTR2CHTR2BSLC6A2

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
EP-1644326-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2016-11-02 — — EP disclosed
US-7405229-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-07-29 — — US disclosed
US-20070167635-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2007-07-19 — — 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 (1 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-20070167635-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK KDM1A 2164/4885HDAC4 897/4885HTR2C 4784/4885

“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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