SCHEMBL3476022

SCHEMBL3476022

CCC[C@H]1CCCCN1C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
ADRA2A P08913 2/20 0.49
ALDH1A1 P00352 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 3/20 0.41
HTR2A P28223 3/20 0.41
HTR7 P34969 3/20 0.41
HTR6 P50406 3/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL1760663 1.00 CYP1A2 (0.64) CYP1A2ADRA2AALDH1A1CHRM1DRD2
Hydrochloric Acid SCHEMBL30330842 0.98 CYP1A2 (0.62) CYP1A2ADRA2AALDH1A1CHRM1DRD2
Fluoride SCHEMBL30212759 0.98 CYP1A2 (0.62) CYP1A2ADRA2AALDH1A1CHRM1DRD2
Cyanide SCHEMBL30330259 0.94 CYP1A2 (0.58) CYP1A2ADRA2AALDH1A1CHRM1DRD2
SCHEMBL11921 0.93
SCHEMBL60463 0.93
SCHEMBL11926 0.93
SCHEMBL27836717 0.92 CYP1A2 (0.56) CYP1A2ADRA2AALDH1A1CHRM1DRD2
Iodide SCHEMBL29010172 0.91 CYP1A2 (0.53) CYP1A2ADRA2AALDH1A1S1PR1S1PR3
Bromide SCHEMBL27865865 0.91 CYP1A2 (0.53) CYP1A2ADRA2AALDH1A1S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001877-A1 METHOD FOR EXTRACTING TARGET ALKALOID USING AN IONIC LIQUID AS EXTRACTING SOLVENT Bioniqs Limited (GB) 2008-12-17 EP claimed
WO-2007110637-A1 METHOD FOR EXTRACTING TARGET ALKALOID USING AN IONIC LIQUID AS EXTRACTING SOLVENT BIONIQS LIMITED (GB) 2007-10-04 WO claimed
US-12569679-B2 Treatment delivery system WearOptimo Pty Ltd (AU) 2026-03-10 US disclosed
US-12484814-B2 Actuator system WearOptimo Pty Ltd (AU) 2025-12-02 US disclosed
US-20250025078-A1 ELECTRODE ARRANGEMENT WearOptimo Pty Ltd (AU) 2025-01-23 US disclosed
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 US disclosed
US-20230053962-A1 ANALYTE MEASUREMENT SYSTEM WearOptimo Pty Ltd (AU) 2023-02-23 US disclosed
US-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 US disclosed
US-20220346679-A1 ANALYTE MEASUREMENT SYSTEM WearOptimo Pty Ltd (AU) 2022-11-03 US disclosed
EP-4037552-A1 ANALYTE MEASUREMENT SYSTEM Wearoptimo Pty Ltd (AU) 2022-08-10 EP disclosed
US-11274158-B2 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using calcitonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2022-03-15 US disclosed
WO-2018022668-A2 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER FLAGSHIP PIONEERING, INC. (US) 2018-02-01 WO disclosed
WO-2018022664-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES FLAGSHIP PIONEERING, INC. (US) 2018-02-01 WO disclosed
WO-2018022666-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER BY MODULATING AN ANTI-CANCER IMMUNE RESPONSE FLAGSHIP PIONEERING, INC. (US) 2018-02-01 WO disclosed
CN-107156194-A Environment-friendly high-efficiency citrus insecticide 嘉禾天奉富硒果业有限公司 2017-09-15 CN disclosed
US-20150362482-A1 METHODS OF DETECTING NEUROTOXIN USING SYNAPTIC ACTIVITY THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2015-12-17 US disclosed
US-20150153325-A1 TOXIN DETECTION USING STEM CELL DERIVED NEURONS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2015-06-04 US disclosed
WO-2014138663-A1 METHODS OF DETECTING NEUROTOXIN USING SYNAPTIC ACTIVITY THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE ARMY, on behalf of (US) 2014-09-12 WO disclosed
WO-2013170206-A1 TOXIN DETECTION USING STEM CELL DERIVED NEURONS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF U.S. ARMY RESEARCH & MATERIAL COMMAND (US) 2013-11-14 WO disclosed
WO-2010131058-A1 PRODUCT FOR THE PROTECTION AGAINST HONEYBEE MITES, AND METHOD FOR THE PREPARATION OF THE ACTIVE SUBSTANCE VON BARTHELDNE ABRI JUDIT (HU) 2010-11-18 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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 CYP1A2 849/4885ADRA2A 4426/4885ALDH1A1 1472/4885
US-12569679-B2 Treatment delivery system PIEZO1, DSG1, KRT18 CYP1A2 2615/4885ADRA2A 1090/4885ALDH1A1 4444/4885

“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.