SCHEMBL5657432

SCHEMBL5657432

NC(=O)N1CCC(C2CCN(C(=O)[CH]Cc3ccc4[nH]ccc4c3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.43
FAAH O00519 1/20 0.42
PARP1 P09874 2/20 0.39
PARP2 Q9UGN5 1/20 0.39
CCR3 P51677 1/20 0.39
MAPK14 Q16539 1/20 0.38
GPR183 P32249 1/20 0.37
CHRM2 P08172 1/20 0.37
MAPT P10636 1/20 0.36
LTA4H P09960 1/20 0.36
ACHE P22303 1/20 0.36
HTR4 Q13639 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MCHR1 Q99705 2/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR2 Q969V1 1/20 0.36
F2 P00734 1/20 0.36
EPHX1 P07099 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
SCHEMBL5660300 0.90 CCR3 (0.47) CHRNA7FAAHPARP1PARP2CCR3
SCHEMBL5660912 0.90 CCR3 (0.47) CHRNA7FAAHPARP1PARP2CCR3
SCHEMBL5660671 0.83 ROCK2 (0.44)
SCHEMBL5661004 0.79 ADRB1 (0.30)
SCHEMBL3279457 0.78 ALDH1A1 (0.41) FAAHMAPT
SCHEMBL3603296 0.77 FAAH (0.44) CHRNA7FAAHPARP1PARP2MAPK14
SCHEMBL4717860 0.76 ALDH1A1 (0.39) GPR183MAPT
SCHEMBL5659000 0.75 SLC6A2 (0.43)
SCHEMBL5660922 0.74 IKBKB (0.40) PARP1F2
SCHEMBL5659282 0.74 IKBKB (0.40) PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US claimed
US-7205294-B2 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-17 US disclosed
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US 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-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BDKRB1, BDKRB2, CALCRL CHRNA7 360/4885FAAH 488/4885PARP1 2770/4885

“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.