SCHEMBL21138089

SCHEMBL21138089

c1ccc2c(C3CCCNCC3)ccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.46
NCF1 P14598 1/20 0.46
HTR2C P28335 4/20 0.44
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
ACVR1B P36896 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTK2B Q14289 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CAMKK1 Q8N5S9 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
HTR6 P50406 2/20 0.42
HTR1A P08908 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 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
SCHEMBL30735573 0.94 ADRB2 (0.50) ADRB2NCF1HTR2CBMPR1BBMPR1A
SCHEMBL900393 0.94 ADRB2 (0.50) ADRB2NCF1HTR2CBMPR1BBMPR1A
Hydrochloric Acid SCHEMBL23130919 0.92 HTR2C (0.50) ADRB2NCF1HTR2CBMPR1BBMPR1A
Hydrochloric Acid SCHEMBL21061067 0.92 HTR2C (0.50) ADRB2NCF1HTR2CBMPR1BBMPR1A
SCHEMBL17075086 0.86 MAPT (0.51) ADRB2NCF1TP53MAPTNPC1
SCHEMBL20935332 0.84 CAMKK1 (0.51) NCF1ACVR1TP53MAPTNPC1
SCHEMBL19284555 0.83 HTR1A (0.51) HTR2CMAPTHTR1ASLC6A2SLC6A4
SCHEMBL17075123 0.82 MAPT (0.54) ADRB2NCF1TP53MAPTNPC1
SCHEMBL29392938 0.82 MAPT (0.54) ADRB2NCF1TP53MAPTNPC1
SCHEMBL21138081 0.81 IDO1 (0.52) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT ADRB2 2424/4885NCF1 1589/4885HTR2C 672/4885

“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.