SCHEMBL784752

SCHEMBL784752

CC(C)NC1CCN(c2ccncc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.55
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
PLD1 Q13393 1/20 0.46
HRH4 Q9H3N8 4/20 0.45
HIF1A Q16665 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CDK4 P11802 1/20 0.42
CDK6 Q00534 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 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
SCHEMBL803389 0.84 L3MBTL1 (0.51) KDM1AMAOBHIF1ACYP2C9
SCHEMBL784745 0.82 CHKA (0.53) CHKAKDM1AMAOBHRH3ADRB2
SCHEMBL21916654 0.81 CHRNB2 (0.53) HRH3EHMT2DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL785240 0.81 CHKA (0.52) CHKAKDM1AMAOBHRH3ADRB2
SCHEMBL784698 0.80 KDM1A (0.61) CHKAKDM1AMAOBHRH3ADRB2
SCHEMBL786314 0.80 CHKA (0.56) CHKAKDM1AMAOBADRB2NCF1
SCHEMBL13034802 0.79 CHKA (0.53) CHKAKDM1AMAOBHRH3ADRB2
SCHEMBL803329 0.78 ITGB3 (0.49) CHKAKDM1AMAOBHRH3ADRB2
SCHEMBL13059913 0.78 CHKA (0.49) CHKAKDM1AMAOBHRH3ADRB2
SCHEMBL3963182 0.77 DRD2 (0.52) CHKAKDM1AMAOBHRH3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 US disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (3 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-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP CHKA 271/4885KDM1A 3336/4885MAOB 2822/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP CHKA 271/4885KDM1A 3336/4885MAOB 2822/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 CHKA 1330/4885KDM1A 1493/4885MAOB 261/4885

“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.