SCHEMBL29882017

SCHEMBL29882017

NC[C@H](O)[C@H](c1ccccc1)c1ccc(F)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
SLC6A4 P31645 8/20 0.39
SLC6A2 P23975 7/20 0.39
SLC6A3 Q01959 5/20 0.36
KCNH2 Q12809 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
TACR1 P25103 2/20 0.35
ADRB2 P07550 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
IDO1 P14902 1/20 0.34
HRH1 P35367 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
SCHEMBL20838393 1.00 HTR2A (0.40) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL20838394 1.00 HTR2A (0.40) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL6950343 0.79 CA1 (0.41) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL19329845 0.79 SLC6A4 (0.46) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL19346524 0.79 SLC6A4 (0.46) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL11633696 0.79 TAAR1 (0.54) HTR2ASLC6A4SLC6A2SLC6A3TAAR1
SCHEMBL20838367 0.77 SLC6A2 (0.39) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL19346592 0.77 SLC6A2 (0.39) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL29881279 0.77 SLC6A2 (0.39) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL20838377 0.75 CES2 (0.39) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6

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-11453677-B2 Tricyclic compounds useful to treat orthomyxovirus infections NOVARTIS AG (CH) 2022-09-27 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-11453677-B2 Tricyclic compounds useful to treat orthomyxovirus infections ZC3HAV1, OTC, THOP1 HTR2A 4648/4885SLC6A4 3714/4885SLC6A2 3183/4885

“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.