SCHEMBL900131

SCHEMBL900131

COC(=O)CC1CNCCN1c1cc(C)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.52
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
MAPT P10636 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.41
SSTR4 P31391 1/20 0.40

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
SCHEMBL899763 0.85 NCF1 (0.50) NCF1ADRB2ADRB1MAPTMEN1
SCHEMBL900264 0.76 MEN1 (0.48) NCF1ADRB2ADRB1MAPTMEN1
SCHEMBL900600 0.76 MEN1 (0.48) NCF1ADRB2ADRB1MAPTMEN1
SCHEMBL15094680 0.74 NCF1 (0.47) NCF1ADRB2ADRB1MAPTMEN1
SCHEMBL656202 0.70 SLC6A2 (0.44) ADRB1KMT2A
SCHEMBL30058969 0.70 NCF1 (1.00) NCF1ADRB2ADRB1MAPTMEN1
SCHEMBL899675 0.70 NCF1 (1.00) NCF1ADRB2ADRB1MAPTMEN1
SCHEMBL15277916 0.68 NCF1 (0.75) NCF1ADRB2ADRB1MAPTMEN1
SCHEMBL3070870 0.67 SLC6A2 (0.47)
Hydrochloric Acid SCHEMBL3070866 0.67 SLC6A2 (0.46)

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 NCF1 823/4885ADRB2 1965/4885ADRB1 2373/4885

“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.