SCHEMBL17274530

SCHEMBL17274530

CN(C)C1CCc2c(cccc2C2CCCC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 1.00
HTR7 P34969 17/20 1.00
DRD2 P14416 2/20 0.58
DRD4 P21917 1/20 0.58
DRD3 P35462 1/20 0.58

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
SCHEMBL26690390 1.00 HTR1A (1.00) HTR1AHTR7DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7608424 0.87 HTR1A (0.76) HTR1AHTR7DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7607604 0.85 HTR1A (0.74) HTR1AHTR7DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7603494 0.85 HTR1A (0.74) HTR1AHTR7DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7608421 0.85 HTR1A (0.74) HTR1AHTR7DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL6542136 0.84 HTR1A (0.72) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL3313069 0.76 CHRM3 (0.77) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL339581 0.76 CHRM3 (0.77) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL3312525 0.76 CHRM3 (0.77) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL7336161 0.76 DRD2 (0.63) HTR1AHTR7DRD2DRD4DRD3

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
EP-3145906-B1 SEROTONIN RECEPTOR-TARGETING COMPOUNDS UNIV NORTHEASTERN (US) 2023-10-04 EP disclosed
EP-3145906-B1 SEROTONIN RECEPTOR-TARGETING COMPOUNDS UNIV NORTHEASTERN (US) 2023-10-04 EP disclosed
US-11021435-B2 Serotonin receptor-targeting compounds and methods NORTHEASTERN UNIVERSITY (US) 2021-06-01 US disclosed
US-11021435-B2 Serotonin receptor-targeting compounds and methods NORTHEASTERN UNIVERSITY (US) 2021-06-01 US disclosed
EP-3145906-A1 SEROTONIN RECEPTOR-TARGETING COMPOUNDS AND METHODS Northeastern University (US) 2017-03-29 EP disclosed
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-23 US disclosed
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-23 US disclosed
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-23 US disclosed
WO-2015179366-A1 SEROTONIN RECEPTOR-TARGETING COMPOUNDS AND METHODS NORTHEASTERN UNIVERSITY (US) 2015-11-26 WO disclosed
WO-2015179366-A1 SEROTONIN RECEPTOR-TARGETING COMPOUNDS AND METHODS NORTHEASTERN UNIVERSITY (US) 2015-11-26 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 (2 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-11021435-B2 Serotonin receptor-targeting compounds and methods HTR1A, HTR2C, HTR7 HTR1A 1/4885HTR7 3/4885DRD2 61/4885
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods HTR1A, HTR2C, HTR7 HTR1A 1/4885HTR7 3/4885DRD2 61/4885

“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.