SCHEMBL7056767

SCHEMBL7056767

COc1ccccc1CCCCN

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.75
CHRM2 P08172 1/20 0.59
AOC3 Q16853 1/20 0.56
IDO1 P14902 2/20 0.53
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MPO P05164 1/20 0.50
ACHE P22303 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL5604636 0.98 TAAR1 (0.72) TAAR1CHRM2AOC3IDO1SIGMAR1
SCHEMBL29263690 0.98 TAAR1 (0.72) TAAR1CHRM2AOC3IDO1SIGMAR1
SCHEMBL27842526 0.98 TAAR1 (0.72) TAAR1CHRM2AOC3IDO1SIGMAR1
SCHEMBL31689750 0.94 TAAR1 (0.78) TAAR1CHRM2AOC3IDO1SIGMAR1
SCHEMBL4860531 0.94 TAAR1 (0.78) TAAR1CHRM2AOC3IDO1SIGMAR1
Hydrochloric Acid SCHEMBL1026023 0.92 TAAR1 (0.75) TAAR1CHRM2AOC3IDO1SIGMAR1
SCHEMBL305943 0.86 TAAR1 (1.00) TAAR1AOC3IDO1SIGMAR1
SCHEMBL29350784 0.86 TAAR1 (1.00) TAAR1AOC3IDO1SIGMAR1
SCHEMBL7831226 0.86 TAAR1 (0.69) TAAR1CHRM2AOC3IDO1SIGMAR1
Hydrochloric Acid SCHEMBL11152248 0.84 TAAR1 (0.96) TAAR1AOC3IDO1SIGMAR1ALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614614-A ANTIBIOTICS, CHEMICAL INTERMEDIATES ROUSSEL UCLAF (FR) 1997-03-25 US claimed
EP-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP claimed
CN-1090581-A The preparation method of the novel derivative of erythromycin and they and as the application of medicine ROUSSEL UCLAF (FR) 1994-08-10 CN claimed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP claimed
EP-2727920-B1 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2016-11-02 EP disclosed
US-8841456-B2 1,5-naphthyridine derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-09-23 US disclosed
US-20140142302-A1 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-05-22 US disclosed
EP-2727920-A1 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-05-07 EP disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 US disclosed
EP-1037876-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS Novartis AG (CH) 2000-09-27 EP disclosed
WO-1999023073-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS NOVARTIS AG (CH) 1999-05-14 WO disclosed
CN-1040876-C New derivatives of erythromycin, their preparation process, their use as medicaments ROUSSEL UCLAF (FR) 1998-11-25 CN disclosed
US-5614614-A ANTIBIOTICS, CHEMICAL INTERMEDIATES ROUSSEL UCLAF (FR) 1997-03-25 US disclosed
US-5527780-A BACTERICIDES ROUSSEL UCLAF (FR) 1996-06-18 US disclosed
EP-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP disclosed
CN-1090581-A The preparation method of the novel derivative of erythromycin and they and as the application of medicine ROUSSEL UCLAF (FR) 1994-08-10 CN disclosed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP disclosed
EP-0002604-A1 Quaternary ammonium salts, and their formulations and preparation ELI LILLY AND COMPANY (US) 1979-06-27 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E TAAR1 94/4885CHRM2 43/4885AOC3 546/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C TAAR1 144/4885CHRM2 223/4885AOC3 722/4885
US-20140142302-A1 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF NRAS, RAF1, KRAS TAAR1 3612/4885CHRM2 3219/4885AOC3 4061/4885

“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.