SCHEMBL12312596

SCHEMBL12312596

CC(C)NCc1ccc(F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
GRM4 Q14833 1/20 0.41
KCNH2 Q12809 4/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
TRPV3 Q8NET8 1/20 0.39
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
MAPK1 P28482 1/20 0.39
S1PR3 Q99500 1/20 0.38

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
SCHEMBL6071818 0.83 S1PR3 (0.46) MAPTKCNH2TRPV3S1PR3SLC2A1
SCHEMBL1287328 0.83 MEN1 (0.55) TSHRMEN1KMT2AKCNH2TMEM97
Hydrochloric Acid SCHEMBL18130480 0.81 MEN1 (0.54) TSHRMEN1KMT2AKCNH2TMEM97
SCHEMBL27428920 0.80 MMP13 (0.47) HDAC3HDAC1HDAC2TRPV3SLC6A4
SCHEMBL5406572 0.79 SLC6A4 (0.53) CNR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL14731732 0.79 TMEM97 (0.68) MEN1KMT2AKCNH2TMEM97
SCHEMBL4549602 0.79 SLC2A1 (0.38) KCNH2S1PR3SLC2A1
SCHEMBL1003082 0.79 CYP1A2 (0.41) KDM4EMEN1KMT2AMAPTKCNH2
Hydrochloric Acid SCHEMBL5396979 0.78 SLC6A4 (0.51) CNR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL13995719 0.77 PLA2G1B (0.40) CNR2HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139308-B1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-07-17 EP disclosed
WO-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 WO disclosed
US-8263659-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
US-8263659-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
US-20100298276-A1 THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2010-11-25 US disclosed
US-20100298276-A1 THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2010-11-25 US disclosed
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 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-20100298276-A1 THYROID RECEPTOR LIGANDS TSHR, THRA, THRB CNR2 437/4885HDAC3 267/4885HDAC1 756/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 CNR2 956/4885HDAC3 123/4885HDAC1 455/4885

“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.