SCHEMBL10112464

SCHEMBL10112464

Brc1ccc(-c2cccc(N3CCN(C4CCCCC4)CC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.50
CNR1 P21554 1/20 0.45
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TNF P01375 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 1/20 0.39
ACKR3 P25106 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL10112479 0.81 HRH3 (0.44) HRH3CNR1GAAALOX15TNF
SCHEMBL10112466 0.81 HRH3 (0.57) HRH3GAAALOX15RAB9AABCB1
SCHEMBL30574799 0.76 HRH3 (0.49) HRH3GAAALOX15RAB9ATNF
SCHEMBL13363109 0.75 HRH3 (0.57) HRH3GAAALOX15RAB9AABCB1
SCHEMBL10112497 0.75 CNR1 (0.50) CNR1GAARAB9ASMN1; SMN2MEN1
SCHEMBL6369624 0.75 L3MBTL3 (0.51) HRH3KMT2AACKR3L3MBTL1
SCHEMBL10112451 0.75 HRH3 (0.49) HRH3CNR1RAB9ASMN1; SMN2TNF
SCHEMBL13362635 0.74 CNR1 (0.46) CNR1GAARAB9ASMN1; SMN2MEN1
SCHEMBL10112496 0.74 CNR1 (0.49) CNR1GAARAB9ASMN1; SMN2TNF
SCHEMBL20514314 0.72 HSD11B1 (0.42) HRH3CNR1KMT2AHSD11B1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
WO-2010054279-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 HRH3 2441/4885CNR1 1621/4885GAA 57/4885

“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.