SCHEMBL26669575

SCHEMBL26669575

c1ncc(C2CC2)c(N2CCNCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.42
▸ HTR2C P28335 4/20 0.41
▸ PDE10A Q9Y233 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL26600638 0.87 CYP2D6 (0.42) CYP2D6TSHRCYP1A2CYP3A4MEN1
Trifluoroacetic Acid SCHEMBL30619105 0.87 CYP2D6 (0.42) CYP2D6TSHRCYP1A2CYP3A4MEN1
SCHEMBL26126648 0.77 CYP2D6 (0.37) CYP2D6TSHRCYP1A2CYP3A4MEN1
SCHEMBL31232891 0.77 CYP2D6 (0.37) CYP2D6TSHRCYP1A2CYP3A4MEN1
SCHEMBL29688809 0.76 KCNH2 (0.45) PDE10AHTR1ASLC6A2SLC6A4KCNH2
SCHEMBL2366893 0.76 KCNH2 (0.45) PDE10AHTR1ASLC6A2SLC6A4KCNH2
SCHEMBL2365821 0.75 PDE10A (0.43) CYP2D6TSHRCYP1A2CYP3A4MEN1
Hydrochloric Acid SCHEMBL2366379 0.75 KCNH2 (0.44) KMT2APDE10AKDM4EHTR1ASLC6A2
SCHEMBL28125318 0.75 HRH4 (0.50) PDE10AKCNH2HRH4HRH3
Hydrochloric Acid SCHEMBL29688893 0.75 KCNH2 (0.44) KMT2APDE10AKDM4EHTR1ASLC6A2

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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 — — US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 — — 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 (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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 CYP2D6 3243/4885TSHR 2363/4885CYP1A2 935/4885

“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.

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