SCHEMBL377788

SCHEMBL377788

COc1ccc(N2CCC(N)CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.48
ACVR1 Q04771 1/20 0.45
DPP4 P27487 7/20 0.45
ACACB O00763 1/20 0.45
CHRM4 P08173 1/20 0.44
SUV39H2 Q9H5I1 2/20 0.44
FFAR1 O14842 1/20 0.42

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
SCHEMBL30815824 1.00 KDM1A (0.48) KDM1AACVR1DPP4ACACBCHRM4
SCHEMBL377873 0.88 ACVR1 (0.45) KDM1AACVR1DPP4SUV39H2
SCHEMBL21397270 0.84 CHRM4 (0.49) KDM1ADPP4ACACBCHRM4SUV39H2
SCHEMBL17241036 0.81 ALDH1A1 (0.54)
SCHEMBL1704676 0.80 MEN1 (0.43) KDM1AACACB
Hydrochloric Acid SCHEMBL17870558 0.80 ALDH1A1 (0.45) KDM1AACACBCHRM4FFAR1
SCHEMBL517608 0.80 GAK (0.49) DPP4SUV39H2
SCHEMBL1911855 0.80 DPP4 (0.53) ACVR1DPP4SUV39H2
SCHEMBL14922721 0.80 SIRT6 (0.55) ACVR1
SCHEMBL2766132 0.78 ADRB1 (0.56) ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574176-B Heteroaryl compound and application thereof 隆泰申医药科技(南京) 有限公司 2024-03-15 CN disclosed
WO-2021057696-A1 HETEROARYL COMPOUND AND APPLICATION THEREOF 隆泰申医药科技(南京)有限公司 2021-04-01 WO disclosed
CN-112574176-A Heteroaryl compound and application thereof 隆泰申医药科技(南京) 有限公司 2021-03-30 CN disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
EP-2029538-B1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 US disclosed
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 US disclosed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 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-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 KDM1A 3787/4885ACVR1 1168/4885DPP4 647/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 KDM1A 3787/4885ACVR1 1168/4885DPP4 647/4885

“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.