SCHEMBL1972093

SCHEMBL1972093

COc1ccc2c(c1)CCC21NC(=O)NC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
TNF P01375 4/20 0.56
AKR1B1 P15121 1/20 0.49
PDE7A Q13946 1/20 0.48

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
SCHEMBL9176801 0.92 AKR1B1 (0.60) TSHRTDP1TNFAKR1B1PDE7A
SCHEMBL11346645 0.90 TSHR (0.60) TSHRTDP1TNFAKR1B1PDE7A
SCHEMBL11332846 0.83 TSHR (0.52) TSHRTDP1TNFAKR1B1
SCHEMBL17604876 0.83 TSHR (0.55) TSHRTDP1TNFAKR1B1
SCHEMBL11338031 0.82 AKR1B1 (0.62) TSHRTDP1TNFAKR1B1PDE7A
SCHEMBL17606231 0.81 TSHR (0.63) TSHRTDP1AKR1B1
SCHEMBL11334863 0.80 TSHR (0.54) TSHRTDP1TNFAKR1B1
SCHEMBL11160587 0.80 CYP2C19 (0.44) TNF
SCHEMBL10131269 0.78 TSHR (0.63) TSHRTDP1AKR1B1
SCHEMBL17606065 0.78 TSHR (0.63) TSHRTDP1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO disclosed
EP-2010540-B1 SPIRO-IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2012-12-05 EP disclosed
US-8168667-B2 Imidazolidine derivatives, uses therefor, preparation thereof and compositions comprising such GALAPAGOS NV (BE) 2012-05-01 US disclosed
EP-2026799-B1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH GALAPAGOS SAS (FR) 2011-06-22 EP disclosed
US-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH DART THERAPUTICS, LLC. 2010-08-19 US disclosed
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such SASU, GALAPAGOS (FR) 2010-03-11 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
US-4282229-A FOR DIABETIC COMPLICATIONS PFIZER INC. (US) 1981-08-04 US disclosed
US-4258054-A ANTIDIABETIC PFIZER INC. (US) 1981-03-24 US disclosed
US-4210756-A Tetrahydroquinoline hydantoins for chronic diabetic complications PFIZER INC. (US) 1980-07-01 US disclosed
US-4209630-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1980-06-24 US disclosed
US-4147795-A ENZYME INHIBITORS PFIZER INC. (US) 1979-04-03 US disclosed
US-4117230-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1978-09-26 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 (6 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 TSHR 396/4885TDP1 1693/4885TNF 4467/4885
US-20090192145-A1 Spiro-Imidazo Compounds REN, NR3C2, AGTR1 TSHR 513/4885TDP1 3894/4885TNF 3819/4885
US-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH NR5A1, AR, HSD17B7 TSHR 249/4885TDP1 2744/4885TNF 3862/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A TSHR 504/4885TDP1 1667/4885TNF 4435/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 TSHR 396/4885TDP1 1693/4885TNF 4467/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 TSHR 253/4885TDP1 2743/4885TNF 3881/4885

“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.