SCHEMBL1826258

SCHEMBL1826258

C[C@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.58
ACHE P22303 2/20 0.54
LTA4H P09960 1/20 0.53
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MC4R P32245 1/20 0.49
MLNR O43193 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
BCHE P06276 1/20 0.46
BACE1 P56817 1/20 0.46
XIAP P98170 1/20 0.46
BIRC2 Q13490 1/20 0.46
FUCA1 P04066 2/20 0.46

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
SCHEMBL1307820 1.00 SIGMAR1 (0.58) SIGMAR1ACHELTA4HCYP1A2CYP3A4
SCHEMBL1471041 1.00 SIGMAR1 (0.58) SIGMAR1ACHELTA4HCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL18788467 0.98 SIGMAR1 (0.56) SIGMAR1ACHELTA4HCYP1A2CYP3A4
Dimethylamine SCHEMBL6787869 0.95 LTA4H (0.53) SIGMAR1ACHELTA4HCYP1A2CYP3A4
SCHEMBL12469761 0.90 CYP2D6 (0.54) SIGMAR1ACHELTA4HCYP1A2CYP3A4
SCHEMBL17763473 0.85 ACHE (0.67) SIGMAR1ACHEALDH1A1MC4RLMNA
SCHEMBL17830169 0.85 ACHE (0.67) SIGMAR1ACHEALDH1A1MC4RLMNA
SCHEMBL13330940 0.85 CXCR4 (0.53) ACHECYP3A4ALDH1A1MLNRLMNA
SCHEMBL3158803 0.85 MLNR (0.49) SIGMAR1CYP3A4ALDH1A1MLNRXIAP
SCHEMBL17495605 0.85 ACHE (0.67) SIGMAR1ACHEALDH1A1MC4RLMNA

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 37 patents — showing the first 20. 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
WO-2022140643-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX BAYLOR COLLEGE OF MEDICINE (US) 2022-06-30 WO disclosed
CN-106459046-A Pyrazolo-pyridine derivatives as kinase inhibitors UCB生物制药私人有限公司 2017-02-22 CN disclosed
WO-2014035872-A1 TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN AMGEN INC. (US) 2014-03-06 WO disclosed
US-8183255-B2 N-pyrimidin-4-yl-3-amino-pyrrolo[3,4-c]pyrazole derivatives as PKC kinase inhibitors PFIZER, INC. (US) 2012-05-22 US disclosed
CN-1930139-B Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS OXFORD LTD 2011-07-27 CN disclosed
EP-1660471-B1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2011-05-04 EP disclosed
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors LABORATOIRES SERONO S.A. (CH) 2010-11-04 US disclosed
US-7786121-B2 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2010-08-31 US disclosed
US-20100130501-A1 NOVEL 3-AMINO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H, 6H) CARBALDEHYDE DERIVATIVES PFIZER INC. 2010-05-27 US disclosed
CN-1351497-A Aminopyrimidines as sorbitol dehydrogenase inhibitors PFIZER PROD INC (US) 2002-05-29 CN disclosed
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 EP 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
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 WO disclosed
EP-0983251-A1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF Pfizer Limited (GB) 2000-03-08 EP disclosed
EP-0968201-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-05 EP disclosed
WO-1998052929-A1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF PFIZER LIMITED (GB) 1998-11-26 WO disclosed
WO-1998035951-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-08-20 WO disclosed
CN-1097745-A The piperazine that replaces BAYER AG (DE) 1995-01-25 CN disclosed
EP-0623605-A2 Substituted piperazines as antiretroviral medicaments BAYER AG (DE) 1994-11-09 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 (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-20240067625-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX NR2E1, NR2E3, NR4A2 SIGMAR1 812/4885ACHE 2535/4885LTA4H 823/4885
US-20100130501-A1 NOVEL 3-AMINO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H, 6H) CARBALDEHYDE DERIVATIVES DPP3, IAPP, GPR119 SIGMAR1 3234/4885ACHE 322/4885LTA4H 2789/4885
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors MMP3, MMP1, MMP13 SIGMAR1 4763/4885ACHE 1972/4885LTA4H 756/4885

“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.