SCHEMBL16307115

SCHEMBL16307115

CCCCOc1ccc(Br)cc1CCN

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
LMNA P02545 3/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
HTT P42858 1/20 0.61
NPSR1 Q6W5P4 1/20 0.56
HPGD P15428 2/20 0.52
KDM4E B2RXH2 2/20 0.52
GLA P06280 1/20 0.51
ADRA1A P35348 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HTR2A P28223 3/20 0.43
HTR1A P08908 4/20 0.43
HTR1D P28221 4/20 0.43
HTR1B P28222 4/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL6964474 0.85 SMN1; SMN2 (0.58) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL16306933 0.81 LMNA (0.57) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL16307003 0.80 LTB4R (0.57) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL20563650 0.79 SMN1; SMN2 (0.50) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL800010 0.79 SMN1; SMN2 (0.49) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL129993 0.78 TAAR1 (0.66) ADRA1ATAAR1HTR2A
SCHEMBL16362200 0.78 SMN1; SMN2 (0.52) SMN1; SMN2LMNARAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL7666607 0.78 SMN1; SMN2 (0.62) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL16306929 0.77 SMN1; SMN2 (0.51) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL16307111 0.77 LMNA (0.53) SMN1; SMN2LMNARAB9ANPC1KMT2A

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-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
WO-2014201073-A9 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 SMN1; SMN2 2965/4885LMNA 963/4885RAB9A 2322/4885

“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.