SCHEMBL22845398

SCHEMBL22845398

Cc1cc2n(-c3ccccc3)c(=O)c3c(n2n1)CNCC3

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.40
ALDH1A1 P00352 1/20 0.36
HTR2C P28335 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR6 P50406 4/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
CYP3A4 P08684 1/20 0.33
MCHR1 Q99705 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 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
SCHEMBL22845487 0.82 HTR2C (0.38) GNRHRHTR2CNPC1RAB9AHTR2A
SCHEMBL22717381 0.80 GNRHR (0.37) GNRHRHTR2CHTR6HTR2AHTR2B
SCHEMBL22845205 0.77 GNRHR (0.38) GNRHRALDH1A1HTR2CHTR6CYP3A4
SCHEMBL22845486 0.72 GNRHR (0.36) GNRHRALDH1A1HTR2CHTR6SIGMAR1
SCHEMBL22845219 0.70 HTR2C (0.39) GNRHRALDH1A1HTR2CNPC1RAB9A
SCHEMBL22845408 0.69 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL22845396 0.69 GNRHR (0.44) GNRHRALDH1A1NPC1RAB9AKDM4E
SCHEMBL22845397 0.65 KDM4E (0.43) ALDH1A1CYP2C9CYP2C19CYP3A4KDM4E
SCHEMBL22845436 0.64 HTR2C (0.36) HTR2CHTR2AHTR2BMCHR1KDM4E
SCHEMBL22845308 0.63 DPP4 (0.52) HTR2CHTR2AHTR2B

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 GNRHR 2198/4885ALDH1A1 648/4885HTR2C 467/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL GNRHR 2198/4885ALDH1A1 648/4885HTR2C 467/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL GNRHR 2198/4885ALDH1A1 648/4885HTR2C 467/4885

“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.