SCHEMBL15624979

SCHEMBL15624979

CC[N+]1(Cc2ccccc2)CCC(N)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.39
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
TP53 P04637 1/20 0.34
OPRL1 P41146 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL1964501 0.80 CHRNA7 (0.44) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL15610575 0.79 CHRM3 (0.47) CHRNA7ACHE
SCHEMBL8965143 0.78 CHRNA7 (0.43) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5944660 0.78 CHRNA7 (0.43) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL16168595 0.75 CHRNA7 (0.41) CHRNA7CHRNB4CHRNA3TP53MEN1
SCHEMBL8056810 0.75 CHRNA7 (0.44) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL16021550 0.74 CCR1 (0.45) MEN1KMT2A
SCHEMBL3817049 0.72 CHRM3 (0.46) CHRNA7CHRNB4CHRNA3ACHE
SCHEMBL1017459 0.70 HIF1A (0.46) CHRNB4CHRNA3CHRNB2CHRNA4TP53
Ethylbenzene SCHEMBL3760585 0.70 TP53 (0.61) TP53OPRL1SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897940-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-01 EP disclosed
US-8841309-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-23 US disclosed
US-20140088097-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-27 US disclosed
WO-2014044849-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-27 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-20140088097-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPV1 CHRNA7 1269/4885CHRNB4 1223/4885CHRNA3 1620/4885

“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.