SCHEMBL11619775

SCHEMBL11619775

CN(Cc1cc(C#N)cc(Br)c1N)C1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.70
▸ ADORA3 P0DMS8 1/20 0.70
▸ AR P10275 1/20 0.70
▸ CYP2D6 P10635 1/20 0.70
▸ SLC6A2 P23975 1/20 0.70
▸ PDE4A P27815 1/20 0.70
▸ SLC6A4 P31645 1/20 0.70
▸ SLC6A3 Q01959 1/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ SIGMAR1 Q99720 1/20 0.70
▸ LMNA P02545 2/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ HTT P42858 1/20 0.68
▸ NOS2 P35228 9/20 0.42
▸ NOS3 P29474 8/20 0.42
▸ NOS1 P29475 8/20 0.42
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.37

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 SCHEMBL11620483 0.99 LMNA (0.70) ABCB11ADORA3ARCYP2D6SLC6A2
SCHEMBL17088062 0.86 ABCB11 (0.53) ABCB11ADORA3ARCYP2D6SLC6A2
SCHEMBL11617776 0.85 CYP2D6 (0.50) ABCB11ADORA3ARCYP2D6SLC6A2
SCHEMBL23073294 0.82 ABCB11 (0.47) ABCB11ADORA3ARCYP2D6SLC6A2
Bromhexine SCHEMBL19059 0.82 CYP2D6 (1.00) ABCB11ADORA3ARCYP2D6SLC6A2
Bromhexine SCHEMBL29379593 0.82 CYP2D6 (1.00) ABCB11ADORA3ARCYP2D6SLC6A2
SCHEMBL13907693 0.82 CYP2D6 (0.79) ABCB11ADORA3ARCYP2D6SLC6A2
Bromhexine SCHEMBL99613 0.81 LMNA (1.00) ABCB11ADORA3ARCYP2D6SLC6A2
SCHEMBL11622934 0.81 CYP2D6 (0.77) ABCB11ADORA3ARCYP2D6SLC6A2
Bromhexine SCHEMBL18548828 0.81 CYP2D6 (0.97) ABCB11ADORA3ARCYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210228560-A1 Combination of a Compound Having the Ability to Rearrange a Lysosomal Enzyme and Ambroxol and/or a Derivative of Ambroxol CENTOGENE IP GMBH (DE) 2021-07-29 — — US disclosed
EP-2793872-B1 COMBINATION OF A COMPOUND HAVING THE ABILITY TO REARRANGE A LYSOSOMAL ENZYME AND AMBROXOL AND/OR A DERIVATIVE OF AMBROXOL CENTOGENE IP GMBH (DE) 2021-03-10 — — EP disclosed
US-20150258081-A1 COMBINATION OF A COMPOUND HAVING THE ABILITY TO REARRANGE A LYSOSOMAL ENZYME AND AMBROXOL AND/OR A DERIVATIVE OF AMBROXOL CENTOGENE IP GMBH (DE) 2015-09-17 — — US disclosed
US-20150258081-A1 COMBINATION OF A COMPOUND HAVING THE ABILITY TO REARRANGE A LYSOSOMAL ENZYME AND AMBROXOL AND/OR A DERIVATIVE OF AMBROXOL CENTOGENE IP GMBH (DE) 2015-09-17 — — US disclosed
US-4160666-A Polymeric chemical sensitizers for organic photoconductive compositions EASTMAN KODAK COMPANY (US) 1979-07-10 — — US disclosed
US-4101671-A ANTIULCEROGENICS BOEHRINGER INGELHEIM GMBH (DE) 1978-07-18 — — US disclosed
US-RE29628-E ANTIULCER, SECRETOLYTICS, ANTITUSSIVE BOEHRINGER INGELHEIM GMBH (DT) 1978-05-09 — — US disclosed
US-3950393-A ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 — — 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 (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-20210228560-A1 Combination of a Compound Having the Ability to Rearrange a Lysosomal Enzyme and Ambroxol and/or a Derivative of Ambroxol CMA1, MAN2B1, GBA3 ABCB11 517/4885ADORA3 2277/4885AR 3837/4885
US-20150258081-A1 COMBINATION OF A COMPOUND HAVING THE ABILITY TO REARRANGE A LYSOSOMAL ENZYME AND AMBROXOL AND/OR A DERIVATIVE OF AMBROXOL MAN2B1, CMA1, GBA1 ABCB11 69/4885ADORA3 800/4885AR 3749/4885

“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.

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