SCHEMBL6498269

SCHEMBL6498269

CC(CO)C(C)Nc1ccc2oc3ccccc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MCHR1 Q99705 1/20 0.40
MMP12 P39900 2/20 0.40
MMP13 P45452 2/20 0.40
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 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
SCHEMBL6491786 0.84 NPC1 (0.48) NPY5RNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6482381 0.81 MEN1 (0.50) NPY5RNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6482205 0.78 SMN1; SMN2 (0.50) NPY5RNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6492799 0.77 ALDH1A1 (0.50) NPY5RNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6492228 0.77 SMN1; SMN2 (0.45) NPY5RNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6482873 0.76 SMN1; SMN2 (0.44) NPY5RNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6492202 0.75 NPY5R (0.53) NPY5RNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6496641 0.73 MEN1 (0.44) NPY5RNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6495859 0.72 SMN1; SMN2 (0.42) NPY5RNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6485183 0.72 MEN1 (0.53) NPY5RNPC1RAB9ASMN1; SMN2CYP1A2

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-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 NPY5R 555/4885NPC1 1256/4885RAB9A 4535/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 NPY5R 1978/4885NPC1 2036/4885RAB9A 3961/4885

“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.