SCHEMBL21396899

SCHEMBL21396899

Cn1ncc2c1Nc1ccccc1CN2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.45
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSPO P30536 3/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B3 P37058 1/20 0.36
KAT2B Q92831 1/20 0.35
BRPF1 P55201 1/20 0.35
AVPR2 P30518 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
AHR P35869 1/20 0.33
PDK2 Q15119 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 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
SCHEMBL1496015 0.83 TSPO (0.48) HTR5AALOX15HSD17B10TSPOGAA
Hydrochloric Acid SCHEMBL25255088 0.81 TSPO (0.47) HTR5AALOX15HSD17B10TSPOBRPF1
SCHEMBL21397117 0.80 HTR5A (0.39) HTR5A
Phosphoric Acid SCHEMBL25258829 0.77 TSPO (0.49) TSPOHSD17B3AVPR2OXTRAVPR1A
Cadaverine Tartrate SCHEMBL25302081 0.72 TSPO (0.47) ALOX15TSPOHSD17B3AVPR2OXTR
Tartaric Acid SCHEMBL29437225 0.72 TSPO (0.47) ALOX15TSPOHSD17B3AVPR2OXTR
SCHEMBL8346265 0.72 TSPO (0.37) TSPONPSR1AVPR2OXTRAVPR1A
SCHEMBL21396879 0.71 BRPF1 (0.37) HTR5AALOX15HSD17B10TSPOBRD4
SCHEMBL21378907 0.71 TSPO (0.37) HTR5ATSPOCREBBPAVPR2OXTR
SCHEMBL14316163 0.70 HIF1A (0.42) HTR5AALOX15HSD17B10TSPOGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11033555-B2 Therapeutic compounds and compositions for treating social disorders and substance use disorders Kinoxis Therapeutics Pty Ltd (AU) 2021-06-15 US disclosed
US-20190290658-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR TREATING SOCIAL DISORDERS AND SUBSTANCE USE DISORDERS Kinoxis Therapeutics Pty Ltd (AU) 2019-09-26 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 (2 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-20190290658-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR TREATING SOCIAL DISORDERS AND SUBSTANCE USE DISORDERS SLC18A2, SLC6A3, CES2 HTR5A 76/4885ALOX15 891/4885HSD17B10 357/4885
US-11033555-B2 Therapeutic compounds and compositions for treating social disorders and substance use disorders SLC18A2, SLC6A3, CES2 HTR5A 76/4885ALOX15 891/4885HSD17B10 357/4885

“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.