SCHEMBL19122811

SCHEMBL19122811

C[C@@H]1NCCCC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
ADRA1A P35348 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CHRNB2 P17787 2/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNA4 P43681 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
TACR1 P25103 3/20 0.40
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL24477562 1.00 SLC6A2 (0.49) SLC6A2ADRA1AHTR2BSLC6A3CHRNB2
SCHEMBL9673258 1.00 SLC6A2 (0.49) SLC6A2ADRA1AHTR2BSLC6A3CHRNB2
Hydrochloric Acid SCHEMBL23123360 0.98 SLC6A2 (0.47) SLC6A2ADRA1AHTR2BSLC6A3CHRNB2
SCHEMBL4202702 0.88 SLC6A2 (0.52) SLC6A2ADRA1AHTR2BSLC6A3CHRNB2
SCHEMBL30368752 0.88 SLC6A2 (0.52) SLC6A2ADRA1AHTR2BSLC6A3CHRNB2
SCHEMBL18019719 0.88 SLC6A2 (0.52) SLC6A2ADRA1AHTR2BSLC6A3CHRNB2
SCHEMBL4202698 0.88 SLC6A2 (0.52) SLC6A2ADRA1AHTR2BSLC6A3CHRNB2
SCHEMBL18019718 0.88 SLC6A2 (0.52) SLC6A2ADRA1AHTR2BSLC6A3CHRNB2
SCHEMBL4202694 0.88 SLC6A2 (0.52) SLC6A2ADRA1AHTR2BSLC6A3CHRNB2
SCHEMBL9674560 0.83 KDM1A (0.42) SLC6A2HTR2BSLC6A3KDM1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 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-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 SLC6A2 1083/4885ADRA1A 620/4885HTR2B 3485/4885

“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.