SCHEMBL7944353

SCHEMBL7944353

O=C(NC1CC1)c1cccc(Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.54
HSD11B1 P28845 2/20 0.52
P2RX7 Q99572 1/20 0.51
PRKAA2 P54646 2/20 0.51
SMYD3 Q9H7B4 1/20 0.49
GRM5 P41594 2/20 0.48
ACKR3 P25106 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
CNR1 P21554 1/20 0.46
CD38 P28907 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7974744 0.92 CNR2 (0.64) CNR2HSD11B1GRM5ACKR3CNR1
SCHEMBL13267799 0.87 PRKAA2 (0.53) CNR2HSD11B1PRKAA2ACKR3CHRNB2
SCHEMBL8212053 0.85 PRKAA2 (0.51) CNR2HSD11B1PRKAA2SMYD3GRM5
SCHEMBL4779 0.80 HSD11B1 (0.52) CNR2HSD11B1P2RX7PRKAA2SMYD3
SCHEMBL12855299 0.80 KDM4E (0.60) L3MBTL1KMT2ARAB9A
SCHEMBL647746 0.80 PRKAA2 (0.67) PRKAA2ACKR3CHRNB2CHRNA7CHRNA4
SCHEMBL19445811 0.79 HSD11B1 (0.71) CNR2HSD11B1PRKAA2GRM5CNR1
SCHEMBL12468830 0.76 CNR1 (0.49) CNR1NPC1RAB9A
SCHEMBL16741143 0.76 PARP1 (0.56) CNR2HSD11B1PRKAA2SMYD3CD38
SCHEMBL8569826 0.76 HPGD (0.46) ACKR3L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331522-B1 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA LP (US) 2013-09-18 EP disclosed
US-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHIONOGI & CO., LTD. (JP) 2013-06-13 US disclosed
US-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHIONOGI & CO., LTD. (JP) 2013-06-13 US disclosed
US-8324249-B2 Tetrahydropyridinyl and dihydropyrrolyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-12-04 US disclosed
US-8324249-B2 Tetrahydropyridinyl and dihydropyrrolyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-12-04 US disclosed
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 US disclosed
WO-2010014257-A2 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2010-02-04 WO 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-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E CNR2 61/4885HSD11B1 2925/4885P2RX7 143/4885
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E CNR2 61/4885HSD11B1 2925/4885P2RX7 143/4885

“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.