SCHEMBL48652

SCHEMBL48652

CC(=O)NCCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.61
MAPK1 P28482 1/20 0.60
LMNA P02545 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59
ALDH1A1 P00352 1/20 0.59
ALOX15 P16050 1/20 0.59
RAB9A P51151 4/20 0.57
CNR1 P21554 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
HSD11B1 P28845 1/20 0.56
HTT P42858 1/20 0.54
ATM Q13315 1/20 0.54
NPC1 O15118 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL14562256 0.90 MTNR1A (0.58) HRH3MAPK1LMNATDP1SMN1; SMN2
SCHEMBL10542399 0.87 LMNA (0.54) HRH3MAPK1LMNATDP1SMN1; SMN2
SCHEMBL16866627 0.85 MAPK1 (0.64) HRH3MAPK1LMNATDP1SMN1; SMN2
SCHEMBL1694984 0.84 RAB9A (0.62) HRH3MAPK1LMNATDP1SMN1; SMN2
SCHEMBL27263888 0.84 RAB9A (0.58) HRH3MAPK1LMNATDP1SMN1; SMN2
SCHEMBL8285006 0.83 RAB9A (0.57) HRH3MAPK1LMNATDP1SMN1; SMN2
SCHEMBL12156703 0.83 HRH3 (0.57) HRH3MAPK1LMNATDP1SMN1; SMN2
SCHEMBL2093615 0.83 SMN1; SMN2 (0.59) HRH3MAPK1LMNATDP1SMN1; SMN2
SCHEMBL13853783 0.83 CNR1 (0.62) HRH3MAPK1LMNATDP1SMN1; SMN2
SCHEMBL6877377 0.83 MAPK1 (0.54) HRH3MAPK1LMNATDP1SMN1; SMN2

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 157 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US claimed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US claimed
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP claimed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 US claimed
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US claimed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US claimed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US claimed
EP-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP claimed
EP-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 EP claimed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 HRH3 272/4885MAPK1 306/4885LMNA 655/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 HRH3 272/4885MAPK1 306/4885LMNA 655/4885
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B HRH3 189/4885MAPK1 1745/4885LMNA 1778/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 HRH3 937/4885MAPK1 745/4885LMNA 1346/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 HRH3 428/4885MAPK1 493/4885LMNA 1207/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 HRH3 272/4885MAPK1 306/4885LMNA 655/4885

“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.