SCHEMBL3445874

SCHEMBL3445874

N#Cc1cc2c(cc1F)C1CNCC21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.41
CHRNB4 P30926 5/20 0.41
CHRNA3 P32297 5/20 0.41
CHRNA4 P43681 5/20 0.41
TRPV4 Q9HBA0 2/20 0.41
HTR2C P28335 5/20 0.36
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRND Q07001 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
PTP4A3 O75365 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL4406247 0.82 CHRNB2 (0.67) CHRNB2CHRNB4CHRNA3CHRNA4TRPV4
SCHEMBL3446553 0.81 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4HTR2C
Hydrochloric Acid SCHEMBL4685759 0.81 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4TRPV4
SCHEMBL3446487 0.80 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4HTR2C
SCHEMBL3446448 0.78 CHRNA1 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4HTR2C
SCHEMBL5685567 0.72 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5685948 0.71 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6651303 0.70 TRPV4 (0.71) TRPV4ALDH1A1CYP11B1CYP11B2
SCHEMBL24984208 0.69 TRPV4 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4TRPV4
SCHEMBL30918534 0.69 TRPV4 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816356-B2 Aryl and heteroaryltetrahydrocyclobutapyrroles as nicotinic acetylcholine receptor ligands YOHANNES DANIEL 2010-10-19 US disclosed
US-20050182063-A1 Aryl and heteroaryltetrahydrocyclobutapyrroles as nicotinic acetylcholine receptor ligands YOHANNES DANIEL (US) 2005-08-18 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-20050182063-A1 Aryl and heteroaryltetrahydrocyclobutapyrroles as nicotinic acetylcholine receptor ligands OPRL1, OPRK1, CHRNB4 CHRNB2 7/4885CHRNB4 3/4885CHRNA3 12/4885

“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.