SCHEMBL1648408

SCHEMBL1648408

Cc1ccc2c(c1)CN(C(=N)N)CC2

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 7/20 0.63
HTR1A P08908 1/20 0.63
ADRA2A P08913 1/20 0.63
CYP2D6 P10635 1/20 0.63
MAOA P21397 1/20 0.63
SLC6A2 P23975 1/20 0.63
LMNA P02545 1/20 0.55
THRB P10828 1/20 0.55
TSHR P16473 1/20 0.55
PMP22 Q01453 1/20 0.55
HSD17B10 Q99714 1/20 0.55
F10 P00742 10/20 0.51
PLG P00747 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
F2 P00734 2/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL22755532 0.94 TMPRSS2 (0.63) TMPRSS2HTR1AADRA2ACYP2D6MAOA
Guanisoquin SCHEMBL2109074 0.81 TMPRSS2 (0.63) TMPRSS2HTR1AADRA2ACYP2D6MAOA
SCHEMBL1648407 0.81 TMPRSS2 (0.63) TMPRSS2HTR1AADRA2ACYP2D6MAOA
SCHEMBL8544496 0.81 TMPRSS2 (0.63) TMPRSS2HTR1AADRA2ACYP2D6MAOA
SCHEMBL12287671 0.79 NOTUM (0.65) LMNARAB9ANPC1
Debrisoquin SCHEMBL29390380 0.78 TMPRSS2 (1.00) TMPRSS2HTR1AADRA2ACYP2D6MAOA
Debrisoquin SCHEMBL309184 0.78 TMPRSS2 (1.00) TMPRSS2HTR1AADRA2ACYP2D6MAOA
SCHEMBL22755533 0.77 TMPRSS2 (0.47) TMPRSS2HTR1AADRA2ACYP2D6MAOA
SCHEMBL18966975 0.76 DPP8 (0.56) RAB9ANPC1
SCHEMBL17902845 0.76 TMPRSS2 (0.52) TMPRSS2HTR1AADRA2ACYP2D6MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459323-B2 Monocyclic β-lactam compound for treating bacterial infection MEDSHINE DISCOVERY INC. (CN) 2022-10-04 US disclosed
US-20210115035-A1 MONOCYCLIC B-LACTAM COMPOUND FOR TREATING BACTERIAL INFECTION Shenzhen Optimum Biological Technology Co., Ltd (CN) 2021-04-22 US disclosed
EP-3747883-A1 MONOCYCLIC B-LACTAM COMPOUND FOR TREATING BACTERIAL INFECTION Medshine Discovery Inc. (CN) 2020-12-09 EP disclosed
EP-2311810-A1 AMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2011-04-20 EP 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-11459323-B2 Monocyclic β-lactam compound for treating bacterial infection PEPD, COASY, MRPL21 TMPRSS2 1194/4885HTR1A 4455/4885ADRA2A 1440/4885
US-20210115035-A1 MONOCYCLIC B-LACTAM COMPOUND FOR TREATING BACTERIAL INFECTION COASY, BCAT2, PEPD TMPRSS2 1617/4885HTR1A 4378/4885ADRA2A 1669/4885

“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.