SCHEMBL900276

SCHEMBL900276

COc1cc(N2CCNCC2)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.68
ADRB2 P07550 3/20 0.68
ADRB1 P08588 3/20 0.68
HTR6 P50406 4/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
DRD2 P14416 1/20 0.50
CYP2C19 P33261 1/20 0.50
DRD3 P35462 1/20 0.50
HTR3A P46098 1/20 0.50

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
SCHEMBL2214175 0.84 ADRB2 (0.64) NCF1ADRB2ADRB1HTR6HTR3E
SCHEMBL5369315 0.83 NCF1 (0.53) NCF1ADRB2ADRB1HTR6TSHR
SCHEMBL30058969 0.81 NCF1 (1.00) NCF1ADRB2ADRB1HTR6TSHR
SCHEMBL899675 0.81 NCF1 (1.00) NCF1ADRB2ADRB1HTR6TSHR
SCHEMBL2709861 0.78 NCF1 (1.00) NCF1ADRB2ADRB1HTR6TSHR
SCHEMBL27613419 0.78 NCF1 (0.74) NCF1ADRB2ADRB1HTR6TSHR
SCHEMBL2711261 0.77 KDM4E (0.74) NCF1ADRB2ADRB1HTR6ALDH1A1
SCHEMBL2711296 0.75 ADRB2 (1.00) NCF1ADRB2ADRB1HTR6TSHR
SCHEMBL6226930 0.75 NCF1 (0.64) NCF1ADRB2ADRB1HTR6TSHR
SCHEMBL30058924 0.75 ADRB2 (1.00) NCF1ADRB2ADRB1HTR6TSHR

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.