Sugi Predict

Sugi Predict / Compounds / SCHEMBL13813397

SCHEMBL13813397

SCHEMBL13813397

N=C1CCCc2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 5/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ TDP2 O95551 1/20 0.33

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
SCHEMBL29291912 0.98 HRH1 (0.36) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL4912110 0.85 TSHR (0.43) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL3900928 0.76 NPY5R (0.53) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL13857918 0.76 HRH1 (0.37) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL4069326 0.76 HRH1 (0.37) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL728503 0.76 CYP2A6 (0.48) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL29412464 0.76 CYP2A6 (0.48) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL4095527 0.75 HRH1 (0.49) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL11992051 0.74 HRH1 (0.37) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL8118609 0.73 MAOA (0.46) HRH1CHRM2HTR1ACHRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018081612-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ACTAVALON, INC. (US) 2018-05-03 — — WO disclosed
CN-105646599-B Pyrido cycloheptane imine nickel complex catalyst and preparation method and application 中国科学院化学研究所 2018-04-24 — — CN disclosed
CN-105646599-A Pyridinocycloheptane imine nickel complex catalyst, preparation method and application thereof 中国科学院化学研究所 2016-06-08 — — CN disclosed
EP-2121681-B1 COMPOUNDS AND METHOD FOR TREATMENT OF CANCER CRITICAL OUTCOME TECHNOLOGIES INC (CA) 2015-04-15 — — EP disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 — — US disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 — — US disclosed
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2007-03-15 — — 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI HRH1 2137/4885CHRM2 3971/4885HTR1A 4200/4885
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 HRH1 662/4885CHRM2 1630/4885HTR1A 1773/4885

“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.