SCHEMBL19699682

SCHEMBL19699682

CCc1cc(OC)ncc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.42
▸ P2RX2 Q9UBL9 2/20 0.42
▸ NNMT P40261 1/20 0.38
▸ CRHR1 P34998 1/20 0.37
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ OXTR P30559 1/20 0.34
▸ APLNR P35414 2/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.33
▸ LOX P28300 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ DHODH Q02127 1/20 0.33

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
SCHEMBL17586747 0.78 NNMT (0.39) P2RX3P2RX2NNMTAPLNRSIRT6
SCHEMBL22570336 0.77 NNMT (0.47) NNMTCRHR1MTNR1AMTNR1BRAB9A
SCHEMBL24455820 0.76 NNMT (0.42) P2RX3P2RX2NNMTMTNR1AMTNR1B
SCHEMBL18083204 0.76 NNMT (0.39) P2RX3P2RX2NNMTMTNR1AMTNR1B
SCHEMBL16800619 0.76 NNMT (0.39) NNMTMTNR1AMTNR1BTAAR1RAB9A
SCHEMBL13361818 0.76 RECQL (0.39) NNMTMTNR1AMTNR1BRAB9ASIRT6
SCHEMBL22339068 0.75 SLC6A2 (0.40) P2RX3P2RX2
SCHEMBL21737273 0.75 P2RX3 (0.40) P2RX3P2RX2NNMTAPLNRSIRT6
SCHEMBL19508069 0.75 P2RX3 (0.35) P2RX3P2RX2
SCHEMBL10092223 0.75 NNMT (0.49) P2RX3P2RX2NNMTCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021136238-A1 FUSED RING COMPOUND AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-07-08 — — WO disclosed
US-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2017-12-14 — — 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-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE IDO1, IDO2, INMT P2RX3 1300/4885P2RX2 1358/4885NNMT 18/4885

“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