SCHEMBL1939017

SCHEMBL1939017

O=C(O)C1=NC(c2ccncc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.41
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
ALDH1A1 P00352 2/20 0.36
EPHX1 P07099 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
RECQL P46063 1/20 0.34
CYP19A1 P11511 3/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NAMPT P43490 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.33
RIPK1 Q13546 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1940751 0.81 EPHX1 (0.43) ALDH1A1EPHX1MAPTGAANAMPT
SCHEMBL18398412 0.73 NOS1 (0.64) NOS1NOS2ALDH1A1MAPTDDB1
SCHEMBL1940364 0.72 KDM4E (0.31) KDM4EKDM4C
SCHEMBL1943356 0.69 NOS1 (0.36) NOS1NOS2ALDH1A1MAPTDDB1
SCHEMBL2899918 0.66 OAT (0.33) KDM4E
SCHEMBL17281364 0.66 NOS3 (0.47) NOS1NOS2ALDH1A1MAPTHSD17B10
SCHEMBL2749914 0.64 CYP1A2 (0.39) NOS1NOS2ALDH1A1MAPTHSD17B10
SCHEMBL5544694 0.63 NPC1 (0.61) ALDH1A1MAPTHSD17B10RECQLLMNA
SCHEMBL5544699 0.63 NPC1 (0.61) ALDH1A1MAPTHSD17B10RECQLLMNA
SCHEMBL3559920 0.62 CYP2C19 (0.38) NOS1NOS2EPHX1MAPTDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2331522-A2 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF Purdue Pharma LP (US) 2011-06-15 EP disclosed
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 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-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E NAPRT 864/4885NOS1 1243/4885NOS2 1418/4885
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E NAPRT 864/4885NOS1 1243/4885NOS2 1418/4885

“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.