SCHEMBL3849570

SCHEMBL3849570

CC(C)(C)OC(=O)c1c(F)cccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
TLR8 Q9NR97 2/20 0.40
KMT2A Q03164 2/20 0.39
TLR7 Q9NYK1 1/20 0.38
GRM6 O15303 1/20 0.38
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35

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
SCHEMBL23559316 0.82 TLR8 (0.38) CES2CES1TLR8KMT2ATLR7
SCHEMBL17374999 0.81 CA12 (0.48) CES2CES1KMT2AGRM6LMNA
SCHEMBL18131333 0.81 CES2 (0.44) CES2CES1KMT2AGRM6LMNA
SCHEMBL6356349 0.81 KMT2A (0.46) CES2CES1KMT2AGRM6LMNA
SCHEMBL28561247 0.81 GRM6 (0.38) KMT2AGRM6THRBKDM4EGAA
SCHEMBL1586780 0.81 CA12 (0.52) CES2CES1TLR8KMT2AKDM4E
SCHEMBL10982569 0.80 GRM6 (0.43) CES2CES1KMT2AGRM6LMNA
SCHEMBL30755334 0.80 CA2 (0.38) GRM6LMNATHRBTDP1KDM4E
SCHEMBL22400331 0.79 LMNA (0.43) CES2CES1KMT2AGRM6LMNA
SCHEMBL17374993 0.79 KMT2A (0.49) CES2CES1KMT2AGRM6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4635949-A1 SUBSTITUTED TETRAHYDROCYCLOPENTYL[C]PYRROLE DERIVATIVE, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2025-10-22 EP disclosed
CN-116217593-B Octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof 江苏恩华药业股份有限公司 2025-05-09 CN disclosed
WO-2024125395-A1 SUBSTITUTED TETRAHYDROCYCLOPENTYL[C]PYRROLE DERIVATIVE, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF 江苏恩华药业股份有限公司 2024-06-20 WO disclosed
CN-118027018-A Tetrahydrocyclopentyl [ c ] pyrrole methyl ketone derivative, preparation method and application thereof 江苏恩华药业股份有限公司 2024-05-14 CN disclosed
CN-116217593-A Octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof 江苏恩华药业股份有限公司 2023-06-06 CN disclosed
US-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-5317023-A 2-Phenyl-(imidazo(4,5-b)pyridyl-methyl-) derivatives; hypertensive agents; cognition activators GLAXO GROUP LIMITED (GB) 1994-05-31 US disclosed
CN-1074683-A Benzofuran derivative GLAXO GROUP LTD (GB) 1993-07-28 CN disclosed
EP-0514197-A1 Anti-hypertensive benzofuran derivatives substituted by N-imidazolyl-methyl groups which are condensed with optionally nitrogen containing, six-membered rings GLAXO GROUP LIMITED (GB) 1992-11-19 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 (1 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-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 CES2 3318/4885CES1 970/4885TLR8 3218/4885

“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.