SCHEMBL12825009

SCHEMBL12825009

O=C(Nc1ccc(Cl)cn1)C1=NOC2(CCNCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 2/20 0.45
BRD4 O60885 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
RAB9A P51151 6/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
NPC1 O15118 4/20 0.44
PTK2 Q05397 1/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
F10 P00742 2/20 0.42
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5115334 0.79 ALDH1A1 (0.45) SMN1; SMN2RAB9ATSHRTDP1KMT2A
SCHEMBL5118948 0.79 GPR119 (0.56) SMN1; SMN2RAB9ATP53TSHRNFKB1
Hydrochloric Acid SCHEMBL5116601 0.78 HPGD (0.44) SMN1; SMN2RAB9ATSHRTDP1KMT2A
SCHEMBL1457290 0.76 GPR119 (0.45) L3MBTL1ALOX15BRD4SMN1; SMN2RAB9A
SCHEMBL14077939 0.73 ADRA2A (0.36)
Trifluoroacetic Acid SCHEMBL5120141 0.73 SMN1; SMN2 (0.40) SMN1; SMN2TSHRTDP1KMT2AMAPT
Hydrochloric Acid SCHEMBL1457438 0.73 ADRA2A (0.38)
SCHEMBL5117619 0.72 NAMPT (0.43) L3MBTL1ALOX15SMN1; SMN2RAB9ATSHR
SCHEMBL5121926 0.71 TRPV4 (0.45) L3MBTL1TDP1F10KMT2AKDM4E
SCHEMBL2578044 0.69 HDAC3 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 L3MBTL1 4872/4885ALOX15 2258/4885BRD4 1049/4885

“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.