SCHEMBL17274170

SCHEMBL17274170

CCCCOC1CC1(Br)Br

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
PPP5C P53041 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL22645131 0.77 ADRB2 (0.39) GBA1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL10705341 0.74 SMN1; SMN2 (0.31) GBA1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL17931096 0.70 GBA1 (0.33) GBA1
SCHEMBL16817849 0.68 GBA1 (0.38) GBA1TSHR
SCHEMBL16711496 0.68 GBA1 (0.38) GBA1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL12590723 0.67 SMN1; SMN2 (0.33) SMN1; SMN2TSHR
SCHEMBL19599988 0.67 ADRB2 (0.33) GBA1ADRB2ADRB1ADRB3PPP5C
SCHEMBL4915956 0.67
SCHEMBL19599990 0.66 NPC1 (0.36) PPP5C
SCHEMBL20787019 0.65 ADRB2 (0.39) GBA1SMN1; SMN2ADRB2ADRB1ADRB3

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-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2024-02-29 US disclosed
EP-2931708-B1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2017-05-10 EP disclosed
US-9527798-B2 Cyclopropylboronic compounds, preparation process thereof and use thereof DIVERCHIM (FR) 2016-12-27 US disclosed
US-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2015-11-19 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 (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-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF HMBS, MMAB, FDPS GBA1 138/4885SMN1; SMN2 2991/4885ADRB2 2955/4885
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES TLR7, MALT1, PNPO GBA1 446/4885SMN1; SMN2 2923/4885ADRB2 4600/4885

“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.