SCHEMBL900102

SCHEMBL900102

Cc1cc(N2CCNCC2)c2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.65
ADRB2 P07550 4/20 0.65
ADRB1 P08588 2/20 0.64
HTR2C P28335 3/20 0.53
ADRA2A P08913 1/20 0.53
AXL P30530 1/20 0.53
HRH1 P35367 1/20 0.53
HTR2B P41595 1/20 0.53
HTR6 P50406 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HTR1D P28221 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR3A P46098 1/20 0.45

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
SCHEMBL8237908 0.82 NCF1 (0.72) NCF1ADRB2ADRB1HTR2CADRA2A
SCHEMBL3784426 0.80 NCF1 (0.68) NCF1ADRB2ADRB1HTR2CADRA2A
SCHEMBL900260 0.79 NCF1 (1.00) NCF1ADRB2ADRB1HTR2CHTR6
SCHEMBL5401115 0.79 NCF1 (0.54) NCF1ADRB2ADRB1MEN1KMT2A
SCHEMBL30058969 0.78 NCF1 (1.00) NCF1ADRB2ADRB1HTR6MEN1
SCHEMBL899675 0.78 NCF1 (1.00) NCF1ADRB2ADRB1HTR6MEN1
SCHEMBL431110 0.77 NCF1 (0.60) NCF1ADRB2ADRB1HTR2CADRA2A
SCHEMBL4171486 0.77 NCF1 (0.63) NCF1ADRB2ADRB1HTR2CADRA2A
SCHEMBL5093467 0.76 NCF1 (0.62) NCF1ADRB2MEN1KMT2A
SCHEMBL13179908 0.76 HTR3A (0.58) NCF1ADRB2ADRB1HTR2CADRA2A

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.