SCHEMBL7751783

SCHEMBL7751783

CC(C)CCC(=O)NCC1CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
FAAH O00519 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.42
CTSD P07339 1/20 0.39
CA1 P00915 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 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
SCHEMBL7397008 0.91 EPHX1 (0.49) CNR1CNR2CTSDCA1SMN1; SMN2
SCHEMBL20133071 0.86 CNR1 (0.43) CNR1CNR2FAAHTDP1ALDH1A1
SCHEMBL27259447 0.85 HTR4 (0.43) CNR1CNR2FAAHALDH1A1
SCHEMBL4515125 0.80 TDP1 (0.48) CNR1CNR2FAAHTDP1ALDH1A1
SCHEMBL25063743 0.80 CNR2 (0.48) CNR1CNR2FAAHTDP1ALDH1A1
SCHEMBL1690847 0.78 FAAH (0.57) CNR1CNR2FAAHTDP1ALDH1A1
SCHEMBL7086465 0.78 KDM4E (0.56) CNR1CNR2ALDH1A1RAB9ANPC1
SCHEMBL25029220 0.76 CNR1 (0.46) CNR1CNR2FAAHALDH1A1CYP3A4
SCHEMBL25028346 0.76 CNR1 (0.46) CNR1CNR2FAAHALDH1A1CYP3A4
SCHEMBL25461584 0.75 CYP1A2 (0.39) CNR1CNR2FAAHTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 US 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 (2 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 CNR1 2480/4885CNR2 3206/4885FAAH 1596/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 CNR1 331/4885CNR2 393/4885FAAH 2806/4885

“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.