SCHEMBL2434792

SCHEMBL2434792

Oc1cnc(-c2ccc(Cl)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 5/20 0.52
DEGS1 O15121 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NOTUM Q6P988 3/20 0.41
RPA1 P27694 1/20 0.41
METAP2 P50579 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3625738 0.83 MEN1 (0.77) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL27513000 0.83 NPC1 (0.55) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2435573 0.82 MEN1 (0.68) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14422990 0.81 MEN1 (0.82) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL28119259 0.81 NPC1 (0.60) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL12613966 0.78 VNN1 (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL387258 0.77 NPC1 (0.59) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1227061 0.77 NPC1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL28643702 0.77 MEN1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13364852 0.77 NR1H4 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278343-B2 Pyrrolidines PFIZER INC. (US) 2012-10-02 US disclosed
US-8278343-B2 Pyrrolidines PFIZER INC. (US) 2012-10-02 US disclosed
US-8278343-B2 Pyrrolidines PFIZER INC. (US) 2012-10-02 US disclosed
CN-102209710-A Pyrrolidines PFIZER LTD 2011-10-05 CN disclosed
EP-2364296-A1 PYRROLIDINES Pfizer Limited (GB) 2011-09-14 EP disclosed
WO-2010052625-A1 PYRROLIDINES PFIZER LIMITED (GB) 2010-05-14 WO disclosed
WO-2010052625-A1 PYRROLIDINES PFIZER LIMITED (GB) 2010-05-14 WO disclosed
US-20100120793-A1 Pyrrolidines PFIZER ANIMAL HEALTH UK 1 LIMITED (GB) 2010-05-13 US disclosed
US-20100120793-A1 Pyrrolidines PFIZER ANIMAL HEALTH UK 1 LIMITED (GB) 2010-05-13 US disclosed
US-20100120793-A1 Pyrrolidines PFIZER ANIMAL HEALTH UK 1 LIMITED (GB) 2010-05-13 US disclosed
EP-2155666-A1 AZETIDINE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN E2 ANTAGONISTS Pfizer Limited (GB) 2010-02-24 EP disclosed
WO-2008139287-A1 AZETIDINE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN E2 ANTAGONISTS PFIZER LIMITED (GB) 2008-11-20 WO disclosed
WO-2008139287-A1 AZETIDINE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN E2 ANTAGONISTS PFIZER LIMITED (GB) 2008-11-20 WO disclosed
US-20080280877-A1 Azetidines PFIZER INC 2008-11-13 US disclosed
US-20080280877-A1 Azetidines PFIZER INC 2008-11-13 US disclosed
US-20080280877-A1 Azetidines PFIZER INC 2008-11-13 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-20100120793-A1 Pyrrolidines PTGER2, PTGDR2, PTGES2 NPC1 4756/4885RAB9A 2743/4885MEN1 1931/4885
US-20080280877-A1 Azetidines PTGER2, PTGER1, PTGDR2 NPC1 3819/4885RAB9A 883/4885MEN1 929/4885

“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.