SCHEMBL22845487

SCHEMBL22845487

O=c1c2c(n3nc(Cc4ccccc4)cc3n1-c1ccccc1)CNCC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.38
GNRHR P30968 1/20 0.38
HTR2B P41595 8/20 0.37
HTR2A P28223 1/20 0.37
SIGMAR1 Q99720 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR3A P46098 1/20 0.35
MCHR1 Q99705 2/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR7 P34969 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
SCHEMBL22845398 0.82 GNRHR (0.40) HTR2CGNRHRHTR2BHTR2ASIGMAR1
SCHEMBL22717381 0.78 GNRHR (0.37) HTR2CGNRHRHTR2BHTR2ASIGMAR1
SCHEMBL22845219 0.77 HTR2C (0.39) HTR2CGNRHRHTR2BHTR2ASIGMAR1
SCHEMBL22845489 0.72 GNRHR (0.44) GNRHRNPC1RAB9A
SCHEMBL22845210 0.69 ALDH1A1 (0.42) HTR2CGNRHRHTR2AMCHR1CYP3A4
SCHEMBL22845205 0.69 GNRHR (0.38) HTR2CGNRHRSIGMAR1CYP3A4
SCHEMBL22845308 0.69 DPP4 (0.52) HTR2CHTR2BHTR2AHTR7
SCHEMBL22845486 0.69 GNRHR (0.36) HTR2CGNRHRSIGMAR1
SCHEMBL22845276 0.68 REN (0.41) NPC1RAB9A
SCHEMBL24469835 0.68 CRBN (0.39) HTR2CMCHR1CYP3A4

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-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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 (3 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-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL HTR2C 467/4885GNRHR 2198/4885HTR2B 2013/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL HTR2C 467/4885GNRHR 2198/4885HTR2B 2013/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL HTR2C 467/4885GNRHR 2198/4885HTR2B 2013/4885

“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.