SCHEMBL5519288

SCHEMBL5519288

COC(Oc1ccccc1)C(C)Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.41
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LTA4H P09960 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL10002053 0.78 CA4 (0.44) CA4THRBKDM4EMTNR1AMTNR1B
SCHEMBL21386784 0.76 KDM4E (0.40) CA4KDM4EMTNR1AMTNR1BLTA4H
SCHEMBL3594092 0.76 CA4 (0.46) CA4KDM4EMTNR1AMTNR1BLTA4H
SCHEMBL8507737 0.75 CA4 (0.41) CA4KDM4EMTNR1AMTNR1BLTA4H
SCHEMBL6047037 0.75 LTA4H (0.41) CA4KDM4EMTNR1AMTNR1BLTA4H
SCHEMBL2020254 0.75 CA4 (0.43) CA4KDM4EMTNR1AMTNR1BLTA4H
SCHEMBL14830646 0.75 CA4 (0.43) CA4KDM4EMTNR1AMTNR1BLTA4H
SCHEMBL2356964 0.75 CA4 (0.50) CA4KDM4EMTNR1AMTNR1BLTA4H
SCHEMBL9373564 0.75 NPC1 (0.47) GAACYP1A2MAOAMAOBMEN1
SCHEMBL28593930 0.72 ADRA2C (0.44) CA4THRBKDM4ELMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202261-B2 Calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
US-20050032850-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2005-02-10 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-20050032850-A1 Calcilytic compounds CALCR, CASR, ORAI1 CA4 64/4885THRB 655/4885KDM4E 4732/4885

“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.