SCHEMBL29622006

SCHEMBL29622006

Cc1ccc(Nc2cc(CN(C)C3CCc4ccccc4C3)nc(N)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
HTR1A P08908 1/20 0.36
RAB9A P51151 3/20 0.35
CYP2C19 P33261 2/20 0.35
NPC1 O15118 2/20 0.35
CYP3A4 P08684 1/20 0.35
NPY5R Q15761 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CXCR4 P61073 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
GBA1 P04062 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL20355505 1.00 CYP1A2 (0.39) CYP1A2CYP2D6HTR1ARAB9ACYP2C19
SCHEMBL24019170 0.77 KDM4E (0.48) CYP1A2CYP2D6RAB9AL3MBTL1LMNA
SCHEMBL20355320 0.77 CYP1A2 (0.39) CYP1A2CYP2D6RAB9ACYP2C19NPC1
SCHEMBL20339039 0.76 CYP1A2 (0.49) CYP1A2CYP2D6RAB9ACYP2C19NPC1
SCHEMBL20340271 0.74 CYP1A2 (0.50) CYP1A2CYP2D6RAB9ACYP2C19NPC1
SCHEMBL20340282 0.74 RAB9A (0.44) CYP1A2CYP2D6RAB9ACYP2C19NPC1
SCHEMBL20338993 0.72 HRH4 (0.42) CYP1A2CYP2D6RAB9ACYP2C19NPC1
SCHEMBL29621850 0.71 MAPK1 (0.53) CYP1A2CYP2D6L3MBTL1LMNAMEN1
SCHEMBL20350515 0.71 MAPK1 (0.53) CYP1A2CYP2D6L3MBTL1LMNAMEN1
SCHEMBL24019191 0.71

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-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2022-05-05 US disclosed
EP-3562811-B1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S L (ES) 2022-03-16 EP 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-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA CYP1A2 815/4885CYP2D6 892/4885HTR1A 1679/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA CYP1A2 815/4885CYP2D6 892/4885HTR1A 1679/4885

“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.