SCHEMBL544347

SCHEMBL544347

NCCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.74
CCR3 P51677 1/20 0.69
CYP2D6 P10635 1/20 0.64
MC4R P32245 1/20 0.61

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
Hydrochloric Acid SCHEMBL7983823 0.98 SIGMAR1 (0.72) SIGMAR1CCR3CYP2D6MC4R
SCHEMBL14761920 0.95 SIGMAR1 (0.75) SIGMAR1CCR3MC4R
Hydrochloric Acid SCHEMBL9601328 0.93 SIGMAR1 (0.73) SIGMAR1CCR3MC4R
Hydrochloric Acid SCHEMBL7982262 0.93 SIGMAR1 (0.73) SIGMAR1CCR3MC4R
SCHEMBL249489 0.89 SIGMAR1 (0.72) SIGMAR1CCR3MC4R
SCHEMBL6657455 0.88 CCR3 (0.85) SIGMAR1CCR3MC4R
SCHEMBL6659913 0.88 CCR3 (0.79) SIGMAR1CCR3MC4R
Hydrochloric Acid SCHEMBL23123378 0.87 SIGMAR1 (0.69) SIGMAR1CCR3MC4R
Hydrochloric Acid SCHEMBL3449676 0.87 SIGMAR1 (0.69) SIGMAR1CCR3MC4R
Hydrochloric Acid SCHEMBL10502885 0.86 CCR3 (0.76) SIGMAR1CCR3MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
EP-2139472-B1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-01-13 EP disclosed
EP-2576520-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE Healthcare UK Limited (GB) 2013-04-10 EP disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
CN-102918031-A Radiolabeled compounds and methods thereof GE HEALTHCARE LTD 2013-02-06 CN disclosed
US-8288432-B2 Tetrahydroindole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2012-10-16 US disclosed
US-8188078-B2 6-aryl/heteroalkyloxy benzothiazole and benzimidazole derivatives, method for preparing same, application thereof as drugs, pharmaceutical compositions and novel use in particular as C-MET inhibitors SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-4661481-A Substituted phenylalkylhomopiperazinylpropyl(ureas or thioureas) useful for treatment of immulogical, inflammatory and allergic disorders BOEHRINGER INGELHEIM PHARMACEUTICALS, INC (US) 1987-04-28 US disclosed
EP-0095029-B1 5-THIO-TETRAZOL COMPOUNDS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-11-05 EP disclosed
US-4585773-A DIURETIC, HYPOTENSIVE BRISTOL-MYERS COMPANY (US) 1986-04-29 US disclosed
US-4579947-A Substituted phenylalkylpiperazinylpropyl (ureas or thioureas) useful for treatment of immunological, inflammatory and allergic disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1986-04-01 US disclosed
US-4563524-A INTERMEDIATES FOR CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-07 US disclosed
EP-0029998-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-06 EP disclosed
EP-0129207-A2 Substituted phenylalkyl(piperazinyl or homopiperazinyl)-propyl-(ureas or thioureas) Boehringer Ingelheim Pharmaceuticals Inc. (US) 1984-12-27 EP disclosed
US-4443443-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-04-17 US disclosed
EP-0095029-A1 5-Thio-tetrazol compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-30 EP disclosed
EP-0029998-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-10 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 SIGMAR1 1936/4885CCR3 35/4885CYP2D6 1253/4885
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A SIGMAR1 71/4885CCR3 1323/4885CYP2D6 572/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 SIGMAR1 1936/4885CCR3 35/4885CYP2D6 1253/4885

“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.