SCHEMBL2937477

SCHEMBL2937477

O=C1CCC(c2ccccc2)CCN1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.57
SIGMAR1 Q99720 1/20 0.57
DDB1 Q16531 3/20 0.47
CRBN Q96SW2 3/20 0.47
SRD5A1 P18405 1/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTR6 P50406 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL4889595 1.00 SLC18A3 (0.57) SLC18A3SIGMAR1DDB1CRBNSRD5A1
SCHEMBL1568261 0.83 SLC18A3 (0.53) SLC18A3SIGMAR1DDB1CRBNHPGD
SCHEMBL2790425 0.83 DDB1 (0.49) SLC18A3SIGMAR1DDB1CRBNSRD5A1
SCHEMBL820254 0.82 SLC18A3 (0.63) SLC18A3SIGMAR1DDB1CRBNSRD5A1
SCHEMBL7619610 0.78 SLC18A3 (0.57) SLC18A3SIGMAR1SRD5A1HPGDGAA
SCHEMBL14451372 0.77 ESR2 (0.40) DDB1CRBNGAAHTR6KMT2A
Hydrochloric Acid SCHEMBL9482318 0.76 ESR2 (0.59) SLC18A3SIGMAR1DDB1CRBNSRD5A1
SCHEMBL76840 0.76 ESR2 (0.63) SLC18A3SIGMAR1DDB1CRBNSRD5A1
SCHEMBL1198558 0.74 DDB1 (0.43) SLC18A3SIGMAR1DDB1CRBNSRD5A1
Water SCHEMBL27808263 0.74 ESR2 (0.61) SLC18A3SIGMAR1DDB1CRBNSRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4003907-A Δ1 -1-Azacycloalkene-2-carboxylic acids and their production BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 US claimed
CN-108840824-A The preparation process of 4- phenyl cycloheptylamine 遵义医学院附属医院 2018-11-20 CN disclosed
CN-105638668-A Weed killer for mulberry field 烟台顺隆化工科技有限公司 2016-06-08 CN disclosed
US-20120231972-A1 Probe Compound for Detecting and Isolating Enzymes and Means and Methods Using the Same INSTITUTE OF CATALYSIS (CSIC) (ES) 2012-09-13 US disclosed
US-8242150-B2 Triazole derivatives for treating alzheimer'S disease and related conditions MERCK SHARP & DOHME CORP. (US) 2012-08-14 US disclosed
WO-2010105851-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-23 WO disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
US-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS SCHERING CORPORATION 2010-09-02 US disclosed
EP-2166854-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
EP-1337575-B1 MODIFIED POLYLACTAM KONINK DSM N V (NL) 2007-08-29 EP disclosed
US-6448286-B1 PREFERENTIALLY INHIBITS OR MODULATES INDUCIBLE OVER CONSTITUTIVE ISOFORM OF NITRIC OXIDE SYNTHASE; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2002-09-10 US disclosed
US-6071906-A INHIBITS OR MODULATES THE INDUCIBLE ISOFORM OF NITRIC OXIDE SYNTHASE OVER THE THE CONSTITUTIVE ISOFORMS; ANTIARTHRITIC, -DIABETIC, ISCHEMIC, THROMBOSIS AGENTS; CARDIOVASCULAR DISORDERS; TOXIC SHOCK SYNDROME; AUTOIMMUNE DISEASES G. D. SEARLE & CO. (US) 2000-06-06 US disclosed
US-6046211-A TREATMENT OF ARTHRITIS OR INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA (ALLODYNIA), CEREBRAL ISCHEMIA AND OTHER CNS DISORDERS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
EP-0897912-A1 Amidino derivatives useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 1999-02-24 EP disclosed
US-5854234-A Amidino dervatives useful as nitric oxide synthase inhibitors G. D. SEARLE & CO. (US) 1998-12-29 US disclosed
EP-0724570-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011231-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G. D. SEARLE & CO. (US) 1995-04-27 WO disclosed
US-4003907-A Δ1 -1-Azacycloalkene-2-carboxylic acids and their production BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 SLC18A3 1341/4885SIGMAR1 2856/4885DDB1 4835/4885
US-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS BACE1, PSEN1, PSEN2 SLC18A3 316/4885SIGMAR1 2596/4885DDB1 3663/4885
US-20120231972-A1 Probe Compound for Detecting and Isolating Enzymes and Means and Methods Using the Same SI, GUSB, MPI SLC18A3 1397/4885SIGMAR1 2436/4885DDB1 1810/4885

“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.