SCHEMBL21057930

SCHEMBL21057930

FC1(F)CCC(n2ncc3cc(I)ccc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 1/20 0.36
SCD O00767 1/20 0.36
HTR2A P28223 5/20 0.36
HTR7 P34969 5/20 0.36
KCNH2 Q12809 3/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
PDE9A O76083 7/20 0.35
DRD2 P14416 2/20 0.34
TNKS O95271 2/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
GPR119 Q8TDV5 2/20 0.33

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
SCHEMBL411900 0.84 PDE9A (0.38) SCDHTR2AHTR7KCNH2PDE9A
SCHEMBL24282885 0.83 POLB (0.42) TEAD1TEAD4TEAD2SCDHTR2A
SCHEMBL21058152 0.82 NR3C1 (0.39) SCDHTR2AHTR7KCNH2PDE9A
SCHEMBL21060754 0.81 MEN1 (0.43) SCDHTR2AHTR7KCNH2TNKS
SCHEMBL25285417 0.80 DDB1 (0.48) SCDKDM5APDE9ADDB1CRBN
SCHEMBL21057641 0.77 HDAC1 (0.43) HTR2A
SCHEMBL29042016 0.77 SCD (0.37) TEAD1TEAD4TEAD2SCDHTR2A
SCHEMBL28439260 0.76 GPR119 (0.38) SCDHTR2AHTR7KCNH2KDM5A
SCHEMBL31482830 0.75 PDE9A (0.39) SCDPDE9A
SCHEMBL31482815 0.75 KMO (0.40) TEAD1TEAD4TEAD2SCDKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344605-B2 Substituted pyrrolidine amides II GRUENENTHAL GMBH (DE) 2025-07-01 US disclosed
US-20220127264-A1 SUBSTITUTED PYRROLIDINE AMIDES II GRUENENTHAL GMBH (DE) 2022-04-28 US disclosed
US-20220127264-A1 SUBSTITUTED PYRROLIDINE AMIDES II GRUENENTHAL GMBH (DE) 2022-04-28 US disclosed
EP-3728233-B1 SUBSTITUTED PYRROLIDINE AMIDES II GRUENENTHAL GMBH (DE) 2022-04-20 EP disclosed
EP-3728233-B1 SUBSTITUTED PYRROLIDINE AMIDES II GRUENENTHAL GMBH (DE) 2022-04-20 EP disclosed
EP-3728233-A1 SUBSTITUTED PYRROLIDINE AMIDES II Grünenthal GmbH (DE) 2020-10-28 EP disclosed
CN-111491931-A Substituted pyrrolidine amides II 格吕伦塔尔有限公司 2020-08-04 CN disclosed
US-20190185470-A1 Substituted Pyrrolidine Amides II GRUENENTHAL GMBH (DE) 2019-06-20 US disclosed
US-20190185470-A1 Substituted Pyrrolidine Amides II GRUENENTHAL GMBH (DE) 2019-06-20 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 (3 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-20190185470-A1 Substituted Pyrrolidine Amides II NR3C1, NR3C2, MC2R TEAD1 3424/4885TEAD4 3681/4885TEAD2 2955/4885
US-20220127264-A1 SUBSTITUTED PYRROLIDINE AMIDES II NR3C1, NR3C2, MC2R TEAD1 3424/4885TEAD4 3681/4885TEAD2 2955/4885
US-12344605-B2 Substituted pyrrolidine amides II NR3C1, NR3C2, MC2R TEAD1 3424/4885TEAD4 3681/4885TEAD2 2955/4885

“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.