SCHEMBL21756785

SCHEMBL21756785

CC(C)(C)c1ccc2ccc(CC(C)(C)c3ccc4nccnc4c3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.37
TRPV1 Q8NER1 2/20 0.33
METAP2 P50579 1/20 0.33
SCN10A Q9Y5Y9 4/20 0.32
KCNH2 Q12809 1/20 0.32
GNRHR P30968 2/20 0.31
TACR2 P21452 1/20 0.31
HRH2 P25021 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL22617566 0.87 ALDH1A1 (0.40) PDE10ATRPV1METAP2KDM4ENPC1
SCHEMBL25946731 0.87 TGFBR1 (0.34) PDE10AGNRHRTACR2HRH2OPRM1
SCHEMBL19602946 0.82 CYP3A4 (0.38) PDE10AKCNH2
SCHEMBL26315519 0.80 PRKCZ (0.35) PDE10ATRPV1KCNH2
SCHEMBL761268 0.78 ALDH1A1 (0.42) PDE10AMETAP2SCN10AKCNH2KDM4E
SCHEMBL10221474 0.74 SCN10A (0.36) PDE10ASCN10AKCNH2ALDH1A1HPGD
SCHEMBL19424168 0.72 PDE10A (0.45) PDE10ATRPV1METAP2
SCHEMBL14269044 0.72 SMN1; SMN2 (0.42) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22078503 0.71 PDE10A (0.35) PDE10ATRPV1METAP2KCNH2GNRHR
SCHEMBL26315520 0.70 ALDH1A1 (0.39) PDE10ATRPV1METAP2KCNH2GNRHR

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-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20200062790-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-27 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 (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-20200062790-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 PDE10A 4771/4885TRPV1 3468/4885METAP2 1704/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH PDE10A 3198/4885TRPV1 3977/4885METAP2 797/4885

“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.