SCHEMBL7968974

SCHEMBL7968974

C[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.49
PDK1 Q15118 2/20 0.47
PDK2 Q15119 2/20 0.47
PDK3 Q15120 2/20 0.47
PDK4 Q16654 2/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.47
AGTR2 P50052 1/20 0.46
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
CHRM4 P08173 1/20 0.45
CCR1 P32246 2/20 0.45
GPR119 Q8TDV5 2/20 0.45
HRH2 P25021 1/20 0.44

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
SCHEMBL3664004 1.00 MGLL (0.49) MGLLPDK1PDK2PDK3PDK4
SCHEMBL3664002 1.00 MGLL (0.49) MGLLPDK1PDK2PDK3PDK4
SCHEMBL1704091 0.89 PTGDR2 (0.52) MGLLPTGDR2CCR1GPR119
SCHEMBL4625997 0.89 PTGDR2 (0.52) MGLLPTGDR2CCR1GPR119
SCHEMBL17821461 0.89 ACHE (0.50) CHRM4
SCHEMBL29269210 0.89 CCR1 (0.47) MGLLPTGDR2NR1H2NR1H3CCR1
SCHEMBL29269208 0.89 CCR1 (0.47) MGLLPTGDR2NR1H2NR1H3CCR1
SCHEMBL27019075 0.89 AGTR2 (0.46) AGTR2NR1H2NR1H3GPR119
SCHEMBL29269207 0.89 CCR1 (0.47) MGLLPTGDR2NR1H2NR1H3CCR1
SCHEMBL13954894 0.89 PTGDR2 (0.52) MGLLPTGDR2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067625-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX BAYLOR COLLEGE OF MEDICINE (US) 2024-02-29 US disclosed
US-20240067625-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX BAYLOR COLLEGE OF MEDICINE (US) 2024-02-29 US disclosed
WO-2022140643-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX BAYLOR COLLEGE OF MEDICINE (US) 2022-06-30 WO disclosed
US-6291464-B1 POTENTIATION OF THE CHOLINERGIC ACTIVITY; THERAPEUTIC TREATMENT OF AMNESIA, DEMENTIA OR SENILE DEMENTIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0968201-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-05 EP disclosed
WO-1998035951-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-08-20 WO disclosed
EP-0836383-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-22 EP disclosed
US-5736539-A ANITCARCINOGENIC AGENTS MERCK & CO., INC. (US) 1998-04-07 US disclosed
WO-1997001275-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-01-16 WO disclosed
WO-1995000497-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-01-05 WO 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-20240067625-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX NR2E1, NR2E3, NR4A2 MGLL 3885/4885PDK1 3942/4885PDK2 3173/4885

“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.