SCHEMBL16294286

SCHEMBL16294286

NCCc1cc(Br)ccc1OCC(F)F

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.41
HTR2A P28223 7/20 0.40
LMNA P02545 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
HTR2C P28335 3/20 0.38
TAAR1 Q96RJ0 2/20 0.38
ADRA1A P35348 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTR2B P41595 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL17152708 0.84 PTGDR2 (0.38) CCR5LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL16294005 0.81 PTGDR2 (0.40) CCR5LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL16294698 0.80 PTGDR2 (0.50) PTGDR2NPC1
SCHEMBL6964474 0.79 SMN1; SMN2 (0.58) CCR5HTR2ALMNARAB9ASMN1; SMN2
SCHEMBL7766037 0.78 AAK1 (0.46) SMN1; SMN2KDM4EHTT
SCHEMBL29965019 0.78 CCR5 (0.56) CCR5RAB9AKMT2APTGDR2
SCHEMBL16293949 0.77 CSNK2A1 (0.40) CCR5LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL16293393 0.76 ALDH1A1 (0.41) LMNARAB9ASMN1; SMN2KMT2APTGDR2
SCHEMBL16307115 0.75 SMN1; SMN2 (0.61) HTR2ALMNARAB9ASMN1; SMN2KMT2A
SCHEMBL4304445 0.75 REN (0.37) CCR5HTR2AHTR2CHTR2B

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 10 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-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
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
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
EP-3008052-A1 MACROCYCLIC FACTOR VIIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-04-20 EP 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
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 CCR5 3177/4885HTR2A 3579/4885LMNA 963/4885

“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.