SCHEMBL12863944

SCHEMBL12863944

COc1cccc(Cc2nnc(C)o2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.57
▸ MTNR1A P48039 2/20 0.55
▸ MTNR1B P49286 2/20 0.55
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ IDH1 O75874 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ APLNR P35414 1/20 0.45
▸ HPGD P15428 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TAAR1 Q96RJ0 3/20 0.45
▸ IDO1 P14902 2/20 0.45
▸ AGXT P21549 2/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ CNR1 P21554 1/20 0.44

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
SCHEMBL21368786 0.80 RAB9A (0.42) PTK2MTNR1AMTNR1BRAB9AHPGD
SCHEMBL14976578 0.78 PTK2 (0.53) PTK2MTNR1AMTNR1BRAB9AHPGD
SCHEMBL1822468 0.78 SMN1; SMN2 (0.41) PTK2MTNR1AMTNR1BRAB9AHPGD
SCHEMBL12597232 0.77 RAB9A (0.60) PTK2MTNR1AMTNR1BRAB9AHPGD
SCHEMBL12863942 0.76 POLB (0.50) RAB9AAPLNRHPGDTSHRLMNA
SCHEMBL2099512 0.76 CHRM2 (0.66) CHRM2CHRM1CHRM3HTR1BTAAR1
SCHEMBL28853878 0.76 NOTUM (0.54) PTK2MTNR1AMTNR1BCHRM2CHRM1
SCHEMBL1822105 0.75 TSHR (0.49) PTK2RAB9ATSHRLMNASMN1; SMN2
SCHEMBL12879201 0.75 CYP1A2 (0.48) MTNR1AMTNR1BAPLNRSMN1; SMN2KDM4E
SCHEMBL11555567 0.75 DHFR (0.46) PTK2CHRM2CHRM1CHRM3IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 — — 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 (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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 PTK2 4261/4885MTNR1A 438/4885MTNR1B 254/4885

“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.

Send feedback