SCHEMBL9965906

SCHEMBL9965906

Cc1nnnn1C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NSD3 Q9BZ95 1/20 0.36
BRD4 O60885 9/20 0.36
TSHR P16473 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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 SCHEMBL22528409 0.98 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2APKM
SCHEMBL22113418 0.82 TSHR (0.50) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL16426472 0.80 TSHR (0.53) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL4125728 0.78 ALDH1A1 (0.47) ALDH1A1MEN1MAPTKMT2APKM
SCHEMBL17001650 0.77 ALOX15 (0.45) ALDH1A1MEN1MAPTKMT2AALOX15
SCHEMBL22541489 0.76 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2APKM
SCHEMBL1514757 0.72 MEN1 (0.39) ALDH1A1MEN1MAPTKMT2APKM
SCHEMBL24938345 0.72 TSHR (0.45) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL22096535 0.72 TSHR (0.45) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL12436842 0.72 MEN1 (0.38) ALDH1A1MEN1KMT2APKMALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2021-03-30 US disclosed
US-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR NXERA PHARMA UK LIMITED (GB) 2020-10-15 US disclosed
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-23 US disclosed
US-10385039-B2 Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-08-20 US disclosed
EP-3022202-B1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2019-05-15 EP disclosed
EP-3022202-B1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2019-05-15 EP disclosed
US-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2019-04-18 US disclosed
US-10196380-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-02-05 US disclosed
US-10183025-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2019-01-22 US disclosed
US-10183025-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2019-01-22 US disclosed
US-20160184318-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2016-06-30 US disclosed
US-20160184318-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2016-06-30 US disclosed
EP-3022202-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE Novartis AG (CH) 2016-05-25 EP disclosed
WO-2015118342-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LIMITED (GB) 2015-08-13 WO disclosed
WO-2015008230-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2015-01-22 WO disclosed
WO-2015008230-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2015-01-22 WO disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
WO-2011025690-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 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 (9 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-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR CHRM1, CHRM2, CHRM4 ALDH1A1 1306/4885MEN1 709/4885MAPT 3528/4885
US-20160184318-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI ALDH1A1 4843/4885MEN1 1112/4885MAPT 249/4885
US-10196380-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 ALDH1A1 1421/4885MEN1 657/4885MAPT 3167/4885
US-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 ALDH1A1 1173/4885MEN1 639/4885MAPT 3656/4885
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 ALDH1A1 1306/4885MEN1 709/4885MAPT 3528/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ALDH1A1 534/4885MEN1 4791/4885MAPT 2512/4885
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 ALDH1A1 1306/4885MEN1 709/4885MAPT 3528/4885
US-10385039-B2 Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists CHRM1, CHRM2, CHRM5 ALDH1A1 1173/4885MEN1 639/4885MAPT 3656/4885
US-10183025-B2 Autotaxin inhibitors ENPP2, SERPINB1, TFPI ALDH1A1 4843/4885MEN1 1112/4885MAPT 249/4885

“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.