SCHEMBL18495751

SCHEMBL18495751

C[C@H](COCCOC1(C)CCNCC1)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.41
TLR2 O60603 2/20 0.37
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GGT1 P19440 1/20 0.33

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
SCHEMBL18495754 1.00 TACR1 (0.41) TACR1TLR2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL20565184 0.99 TACR1 (0.40) TACR1TLR2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL20565183 0.99 TACR1 (0.40) TACR1TLR2SLC6A2SLC6A4SLC6A3
SCHEMBL17006185 0.83 TACR1 (0.39) TACR1TLR2SLC6A2SLC6A4SLC6A3
SCHEMBL17006186 0.83 TACR1 (0.39) TACR1TLR2SLC6A2SLC6A4SLC6A3
SCHEMBL18495748 0.82 CYP3A4 (0.40)
SCHEMBL18495741 0.82 CYP3A4 (0.40)
SCHEMBL17848454 0.77 TACR1 (0.51) TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL22890959 0.73 NAAA (0.40) TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL5471268 0.72 TSHR (0.54) TACR1

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-10138253-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-11-27 US disclosed
EP-3334741-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-06-20 EP disclosed
WO-2017025913-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-02-16 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-10138253-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication TYMP, TYMS, CCNI TACR1 4405/4885TLR2 4664/4885SLC6A2 4346/4885

“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.