SCHEMBL2129349

SCHEMBL2129349

COC(=O)C(C)(F)c1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.44
KCNN4 O15554 1/20 0.40
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
PTPN1 P18031 1/20 0.36
CFTR P13569 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 2/20 0.35
APP P05067 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL13986014 0.83 TRPV1 (0.45) TRPV1KCNN4NPC1MAPK1RAB9A
SCHEMBL2130309 0.81 KMT2A (0.46) KCNN4NPC1MAPK1RAB9AALDH1A1
SCHEMBL10596969 0.81 KCNN4 (0.62) KCNN4NPC1MAPK1RAB9APTPN1
SCHEMBL470103 0.81 CNR1 (0.47) TRPV1KCNN4MAPK1CNR1CNR2
SCHEMBL4309547 0.80 CA1 (0.50) NPC1MAPK1RAB9AALDH1A1MAPT
SCHEMBL4517779 0.79 TRPV1 (0.43) TRPV1HDAC1HDAC7HDAC8HDAC6
SCHEMBL31560823 0.75 HDAC3 (0.42) KCNN4NPC1RAB9ACFTRCNR1
SCHEMBL4715047 0.70 LMNA (0.39) TRPV1MAPK1CNR1CNR2ALDH1A1
SCHEMBL29024474 0.70 PPARA (0.46) TRPV1MAPK1RAB9ACNR1ALDH1A1
SCHEMBL19423364 0.70 KCNN4 (0.34) TRPV1KCNN4CNR1CNR2ALDH1A1

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-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2012-04-26 US disclosed
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 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 (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-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS CASR, CALCR, PTH1R TRPV1 29/4885KCNN4 136/4885NPC1 1391/4885

“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.