SCHEMBL2818877

SCHEMBL2818877

CN(Cc1ccccc1Br)C(=O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.46
TSHR P16473 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RIPK1 Q13546 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL26921107 0.83 NPC1 (0.49) PYCR1TSHRTAAR1HPGDNPC1
Hydrochloric Acid SCHEMBL5191489 0.83 AOC3 (0.49) PYCR1TSHRTAAR1HPGDNPC1
SCHEMBL15269326 0.82 HPGD (0.54) PYCR1TSHRTAAR1HPGDNPC1
SCHEMBL6413545 0.82 PYCR1 (0.49) PYCR1TSHRTAAR1HPGDNPC1
SCHEMBL5194439 0.80 KMT2A (0.49) PYCR1TSHRTAAR1HPGDNPC1
SCHEMBL8195952 0.80 RAB9A (0.42) PYCR1TSHRTAAR1HPGDNPC1
SCHEMBL15261600 0.76 HTR2C (0.43) PYCR1TSHRTAAR1HPGDNPC1
SCHEMBL11321571 0.76 NPC1 (0.60) HPGDNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL544272 0.74 NPC1 (0.75) HPGDNPC1RAB9AHSD17B10KMT2A
SCHEMBL4856746 0.73 CTSS (0.47) TSHRNPC1RAB9AKMT2ARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
CN-101605777-A Imidazoles as aldosterone synthase inhibitors NOVARTIS AG (CH) 2009-12-16 CN disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 PYCR1 369/4885TSHR 3447/4885TAAR1 2453/4885

“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.