SCHEMBL4500149

SCHEMBL4500149

CC(C)(N)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 2/20 0.42
HSD11B1 P28845 2/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
CUL4A Q13619 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36

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
SCHEMBL30678520 0.87 ALDH1A1 (0.43) ALDH1A1TDP1POLBL3MBTL1KMT2A
SCHEMBL48365 0.87 ALDH1A1 (0.43) ALDH1A1TDP1POLBL3MBTL1KMT2A
SCHEMBL11167997 0.81 ALDH1A1 (0.42) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL29441997 0.81 ALDH1A1 (0.52) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL63469 0.81 ALDH1A1 (0.52) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL20342924 0.79 NOTUM (0.41) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL20439254 0.79 TDP1 (0.50) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL803038 0.79 ALDH1A1 (0.50) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL15998876 0.79 ALDH1A1 (0.43) ALDH1A1TDP1POLBL3MBTL1IDO1
Hydrogen Sulfide SCHEMBL28274662 0.78 ALDH1A1 (0.50) ALDH1A1TDP1POLBL3MBTL1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10166214-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2019-01-01 US disclosed
US-20180092880-A1 SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2018-04-05 US disclosed
US-20180092880-A1 SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2018-04-05 US disclosed
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 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-20180092880-A1 SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR3, SSTR1 ALDH1A1 3117/4885TDP1 3431/4885POLB 4565/4885
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B ALDH1A1 2276/4885TDP1 2783/4885POLB 4652/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B ALDH1A1 2276/4885TDP1 2783/4885POLB 4652/4885
US-10166214-B2 Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 ALDH1A1 3117/4885TDP1 3431/4885POLB 4565/4885

“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.