SCHEMBL900247

SCHEMBL900247

Cc1cccc2c(N3CCNCC3)ccnc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 8/20 0.69
ADRB2 P07550 3/20 0.60
ADRB1 P08588 3/20 0.54
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
SLC6A4 P31645 1/20 0.52
HTR7 P34969 2/20 0.50
HTR6 P50406 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
CYP1A2 P05177 1/20 0.50
HTR1A P08908 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
MTOR P42345 1/20 0.50
HTR3A P46098 1/20 0.50
HTR5A P47898 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
SCHEMBL15161248 0.88 NCF1 (0.58) NCF1ADRB2ADRB1HTR2AHTR2C
SCHEMBL15161240 0.85 SMN1; SMN2 (0.58) NCF1ADRB2HTR1ATSHRHSD17B10
SCHEMBL15161269 0.84 SMN1; SMN2 (0.59) NCF1HTR1ATSHRKDM4EALDH1A1
SCHEMBL30058953 0.82 NCF1 (0.69) NCF1ADRB2HTR2AHTR2CSLC6A4
SCHEMBL2947898 0.82 NCF1 (0.65) NCF1ADRB2ADRB1HTR2AHTR2C
SCHEMBL15235474 0.82 CYP11B1 (0.51) NCF1ADRB2SLC6A4CYP1A2CYP2D6
SCHEMBL2947933 0.82 NCF1 (1.00) NCF1ADRB2ADRB1HTR2AHTR2C
SCHEMBL16156549 0.78 ADRB1 (0.69) NCF1ADRB1HTR2AHTR7HTR6
SCHEMBL5638118 0.77 NCF1 (0.56) NCF1ADRB2ADRB1HTR2AHTR2C
SCHEMBL29741464 0.77 MAPT (0.79) NCF1ADRB2HTR2AHTR2CSLC6A4

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.