SCHEMBL3145095

SCHEMBL3145095

O=C(O)[C@H]1CC(F)(F)CN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
ALOX15 P16050 3/20 0.53
GRM2 Q14416 1/20 0.53
GRM3 Q14832 1/20 0.53
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
LMNA P02545 2/20 0.39
BLM P54132 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
CTSC P53634 1/20 0.34
GRIK1 P39086 1/20 0.32

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
SCHEMBL40622 1.00 CYP1A2 (0.53) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL40623 1.00 CYP1A2 (0.53) CYP1A2ALOX15GRM2GRM3CYP2D6
Hydrochloric Acid SCHEMBL1269592 0.98 CYP1A2 (0.52) CYP1A2ALOX15GRM2GRM3CYP2D6
Hydrochloric Acid SCHEMBL1269590 0.98 CYP1A2 (0.52) CYP1A2ALOX15GRM2GRM3CYP2D6
Chloromethane SCHEMBL22092026 0.94 CYP1A2 (0.48) CYP1A2ALOX15GRM2GRM3CYP2D6
Trifluoroacetic Acid SCHEMBL17924705 0.90 CYP1A2 (0.46) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL6046221 0.84 CYP1A2 (0.42) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL24576135 0.80 GRM2 (0.34) CYP1A2ALOX15GRM2GRM3CTSC
SCHEMBL8289298 0.80 GRM2 (0.34) CYP1A2ALOX15GRM2GRM3CTSC
SCHEMBL3666260 0.80 GRM2 (0.38) CYP1A2ALOX15GRM2GRM3CTSC

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496195-A Preparation method of (R) -4, 4-difluoro pyrrolidine-2-carboxylic acid 南京优氟医药科技有限公司 2023-07-28 CN claimed
US-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC 2024-08-29 US disclosed
US-20240092788-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2024-03-21 US disclosed
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
CN-116496195-A Preparation method of (R) -4, 4-difluoro pyrrolidine-2-carboxylic acid 南京优氟医药科技有限公司 2023-07-28 CN disclosed
CN-116496195-A Preparation method of (R) -4, 4-difluoro pyrrolidine-2-carboxylic acid 南京优氟医药科技有限公司 2023-07-28 CN disclosed
CN-116496195-A Preparation method of (R) -4, 4-difluoro pyrrolidine-2-carboxylic acid 南京优氟医药科技有限公司 2023-07-28 CN disclosed
US-20230098872-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. 2023-03-30 US disclosed
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-28 US disclosed
EP-3102568-B1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LTD (GB) 2018-06-27 EP disclosed
US-9926297-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-03-27 US disclosed
US-20170240530-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-08-24 US disclosed
US-9670183-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-06-06 US disclosed
EP-3102568-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS Heptares Therapeutics Limited (GB) 2016-12-14 EP disclosed
WO-2015118342-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LIMITED (GB) 2015-08-13 WO disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed
EP-0915088-B1 D-Proline derivatives HOFFMANN LA ROCHE (CH) 2002-09-18 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 (8 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 CYP1A2 130/4885ALOX15 952/4885GRM2 990/4885
US-20230098872-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 CYP1A2 1435/4885ALOX15 3083/4885GRM2 4043/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP1A2 4271/4885ALOX15 3975/4885GRM2 2025/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR CYP1A2 4052/4885ALOX15 2548/4885GRM2 3992/4885
US-20240092788-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 CYP1A2 4271/4885ALOX15 3975/4885GRM2 2025/4885
US-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY TNF, TNFRSF1A, CD40 CYP1A2 3970/4885ALOX15 2656/4885GRM2 4183/4885
US-20170240530-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 CYP1A2 483/4885ALOX15 3563/4885GRM2 81/4885
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 CYP1A2 483/4885ALOX15 3563/4885GRM2 81/4885

“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.