SCHEMBL900100

SCHEMBL900100

O=C(O)N1C[C@@H]2C[C@H]1CN2c1ccnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
PDGFRB P09619 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.37
AR P10275 1/20 0.37
KCNH2 Q12809 1/20 0.36
SLC6A7 Q99884 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
TACR1 P25103 1/20 0.35
CYP1A2 P05177 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL900285 0.93 CHRM1 (0.40) CHRM1HCRTR1HCRTR2ADRB2NCF1
SCHEMBL900240 0.80 CHRM1 (0.39) CHRM1HCRTR1HCRTR2ADRB2NCF1
SCHEMBL900242 0.80 CHRM1 (0.39) CHRM1HCRTR1HCRTR2ADRB2NCF1
SCHEMBL15159474 0.80 CHRM1 (0.39) CHRM1HCRTR1HCRTR2ADRB2NCF1
SCHEMBL4823374 0.75 PBRM1 (0.53) CHRM1KCNH2SLC6A7
SCHEMBL2226606 0.75 PBRM1 (0.53) CHRM1KCNH2SLC6A7
SCHEMBL15286772 0.74 SLC6A7 (0.39) CHRM1KCNH2SLC6A7
SCHEMBL1927851 0.73 SIRT1 (0.38) KCNH2SLC6A7
Hydrochloric Acid SCHEMBL899503 0.73 BMPR1B (0.50) ADRB2NCF1
SCHEMBL17180250 0.72 CYP46A1 (0.45) HCRTR1KCNH2SLC6A7SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
EP-2621923-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 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-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES PIGO, HNMT, PIGS CHRM1 2116/4885HCRTR1 348/4885HCRTR2 544/4885

“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.