SCHEMBL10131099

SCHEMBL10131099

c1ccc(CN2CC3CC3(c3ccc(N4CCOCC4)cc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.53
TMEM97 Q5BJF2 4/20 0.53
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 1/20 0.53
DRD4 P21917 4/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL10132394 0.89 PTGS2 (0.46) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL11471422 0.83 SIGMAR1 (0.44) SIGMAR1ALDH1A1POLBMAPTMAPK1
SCHEMBL10130975 0.83 KCNH2 (0.46) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL9950595 0.83 KCNH2 (0.46) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL10130965 0.83 KCNH2 (0.46) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL10131072 0.82 LMNA (0.51) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL11074721 0.82 POLB (0.45) SIGMAR1POLB
SCHEMBL16215113 0.81 SMN1; SMN2 (0.56) ALDH1A1POLBMAPTLMNA
SCHEMBL10131034 0.81 PRKDC (0.40)
SCHEMBL16281069 0.81 BMPR1B (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
EP-2445887-B1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 US disclosed
WO-2010150281-A2 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2010-12-29 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 (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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 SIGMAR1 815/4885TMEM97 4343/4885ADRA2A 327/4885

“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.