SCHEMBL761352

SCHEMBL761352

N#CC1(c2ccccn2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
TSHR P16473 3/20 0.42
USP2 O75604 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 1/20 0.39
PRKCA P17252 1/20 0.39
PTPN2 P17706 1/20 0.39
HTR7 P34969 1/20 0.39
ADRA1A P35348 1/20 0.39
PLD1 Q13393 1/20 0.38

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 SCHEMBL2221936 0.98 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4
SCHEMBL7157630 0.88 HSD11B1 (0.43) CYP1A2HSD11B1PRKCAPTPN2HTR7
SCHEMBL30419444 0.88 HSD11B1 (0.43) CYP1A2HSD11B1PRKCAPTPN2HTR7
SCHEMBL31221400 0.84 GRIN1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2HSD11B1
SCHEMBL626328 0.84 GRIN1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2HSD11B1
SCHEMBL15862755 0.84 GRIN1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2HSD11B1
SCHEMBL6181910 0.83 GRIN1 (0.50) ALDH1A1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL6203456 0.83 GRIN1 (0.50) ALDH1A1CYP1A2MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL3886721 0.81 HSD11B1 (0.35) ALDH1A1HSD17B10HPGDCYP1A2HSD11B1
SCHEMBL21246371 0.80 MAP3K12 (0.41) ALDH1A1KMT2AHSD11B1PRKCAPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810614-B1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LTD (GB) 2024-03-27 EP disclosed
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
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-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-28 US disclosed
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-28 US disclosed
EP-3102568-B1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LTD (GB) 2018-06-27 EP disclosed
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2007-11-01 US disclosed
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2007-11-01 US disclosed
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2007-11-01 US disclosed
WO-2007041025-A2 RADIOLABELED GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2007-04-12 WO disclosed
EP-1729772-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck and Co., Inc. (US) 2006-12-13 EP disclosed
WO-2005094514-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-10-13 WO disclosed
WO-2005094514-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-10-13 WO disclosed
US-5922722-A PIPERIDINE OR PIPERAZINE DERIVATIVES TO TREAT BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1999-07-13 US disclosed
EP-0865280-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-23 EP disclosed
WO-1997017967-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-05-22 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 (8 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 1306/4885HSD17B10 3737/4885HPGD 3377/4885
US-10196380-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 ALDH1A1 1421/4885HSD17B10 3913/4885HPGD 3379/4885
US-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 ALDH1A1 1173/4885HSD17B10 4206/4885HPGD 4168/4885
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 ALDH1A1 1306/4885HSD17B10 3737/4885HPGD 3377/4885
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 ALDH1A1 1306/4885HSD17B10 3737/4885HPGD 3377/4885
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 ALDH1A1 1871/4885HSD17B10 1654/4885HPGD 1107/4885
US-10385039-B2 Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists CHRM1, CHRM2, CHRM5 ALDH1A1 1173/4885HSD17B10 4206/4885HPGD 4168/4885
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 ALDH1A1 1421/4885HSD17B10 3913/4885HPGD 3379/4885

“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.