SCHEMBL12434313

SCHEMBL12434313

CC(C)c1ccc(F)nc1C(C)C

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.31
LMNA P02545 2/20 0.30
SLC6A2 P23975 2/20 0.30
HTR2B P41595 2/20 0.30
TRPA1 O75762 1/20 0.30
CHRM1 P11229 1/20 0.30
ADRA1A P35348 1/20 0.30
GCGR P47871 2/20 0.30
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GABRA1 P14867 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
PTGS1 P23219 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL4734695 0.79 EIF4A3 (0.32) EIF4A3LMNASLC6A2HTR2BTRPA1
SCHEMBL12299834 0.79 GCGR (0.33) HTR2BGCGR
SCHEMBL12263281 0.77 LMNA (0.34) EIF4A3LMNASLC6A2HTR2BTRPA1
SCHEMBL21736962 0.76 GLP1R (0.33) HTR2C
SCHEMBL22332350 0.76 GABRA1 (0.38) EIF4A3LMNASLC6A2HTR2BTRPA1
SCHEMBL20467131 0.76 RPS6KA3 (0.31) EIF4A3
SCHEMBL18368368 0.76 LMNA (0.33) EIF4A3LMNAGABRA1GABRB1
SCHEMBL12434308 0.74 GABRA1 (0.33) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL12796015 0.74 LMNA (0.31) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL11213577 0.74 CCR1 (0.39) LMNASLC6A2HTR2BTRPA1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023232966-A1 MACROCYCLIC OREXIN RECEPTOR AGONISTS AND USES THEREOF JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-12-07 WO disclosed
US-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2017-12-14 US disclosed
US-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2017-12-14 US disclosed
US-9771370-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2017-09-26 US disclosed
US-20160075711-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2016-03-17 US disclosed
US-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 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 (4 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX EIF4A3 2426/4885LMNA 1747/4885SLC6A2 2961/4885
US-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE IDO1, IDO2, INMT EIF4A3 3769/4885LMNA 4830/4885SLC6A2 344/4885
US-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase IDO1, IDO2, INMT EIF4A3 3769/4885LMNA 4830/4885SLC6A2 344/4885
US-20160075711-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE IDO1, IDO2, INMT EIF4A3 3769/4885LMNA 4830/4885SLC6A2 344/4885

“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.