SCHEMBL10111396

SCHEMBL10111396

CCN1CC2(CCNCC2)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
CYP2D6 P10635 5/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30

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 SCHEMBL18690044 0.98 TSHR (0.41) TSHRKDM1AMAOBRCOR1CYP2D6
SCHEMBL24718199 0.89 TSHR (0.47) TSHR
SCHEMBL20941865 0.88 OPRM1 (0.34) TSHRKDM1AMAOBRCOR1CYP2D6
SCHEMBL23997226 0.86 OPRM1 (0.37) OPRM1OPRL1CHRM2CHRM3SMN1; SMN2
SCHEMBL13339791 0.84 TSHR (0.41) TSHRKDM1AMAOBRCOR1CYP2D6
SCHEMBL20941868 0.83 PIK3CD (0.39) TSHRKDM1AMAOBRCOR1CYP2D6
Hydrochloric Acid SCHEMBL3494601 0.82 TSHR (0.44) TSHRKDM1AMAOBRCOR1CYP2D6
SCHEMBL20941857 0.80 OPRM1 (0.38) CYP2D6ALDH1A1HPGDHSD17B10OPRM1
SCHEMBL347358 0.80 CTSB (0.37) TSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL10127159 0.78 CYP3A4 (0.34) KDM1AMAOBRCOR1CYP2D6OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12202843-B2 Muscarinic receptor agonists NXERA PHARMA UK LIMITED (GB) 2025-01-21 US disclosed
US-20220048928-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2022-02-17 US disclosed
US-20220048928-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2022-02-17 US disclosed
US-11034704-B2 Muscarinic receptor agonists NXERA PHARMA UK LIMITED (GB) 2021-06-15 US disclosed
EP-3119396-B1 MUSCARINIC RECEPTOR AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-05-05 EP disclosed
US-10501483-B2 Enamines and diastereo-selective reduction of enamines ALLERGAN, INC. (US) 2019-12-10 US disclosed
US-10428088-B2 Muscarinic receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-10-01 US disclosed
US-20190119304-A1 ENAMINES AND DIASTEREO-SELECTIVE REDUCTION OF ENAMINES ALLERGAN, INC. 2019-04-25 US disclosed
US-10030035-B2 Muscarinic receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-07-24 US disclosed
US-10030035-B2 Muscarinic receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-07-24 US disclosed
US-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-04-06 US disclosed
US-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-04-06 US disclosed
WO-2015140559-A1 MUSCARINIC RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2015-09-24 WO disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 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 (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-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS CHRM1, CHRM2, CHRM3 TSHR 90/4885KDM1A 1865/4885MAOB 403/4885
US-10428088-B2 Muscarinic receptor agonists CHRM1, CHRM2, CHRM3 TSHR 94/4885KDM1A 1848/4885MAOB 404/4885
US-20220048928-A1 MUSCARINIC RECEPTOR AGONISTS CHRM1, CHRM2, CHRM3 TSHR 94/4885KDM1A 1848/4885MAOB 404/4885
US-12202843-B2 Muscarinic receptor agonists CHRM1, CHRM2, CHRM3 TSHR 94/4885KDM1A 1848/4885MAOB 404/4885
US-10030035-B2 Muscarinic receptor agonists CHRM1, CHRM2, CHRM3 TSHR 90/4885KDM1A 1865/4885MAOB 403/4885
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS SSTR5, SSTR2, GPR119 TSHR 45/4885KDM1A 4375/4885MAOB 395/4885
US-10501483-B2 Enamines and diastereo-selective reduction of enamines ENY2, PNMT, CHRM1 TSHR 1550/4885KDM1A 596/4885MAOB 221/4885
US-20190119304-A1 ENAMINES AND DIASTEREO-SELECTIVE REDUCTION OF ENAMINES ENY2, PNMT, CHRM1 TSHR 1550/4885KDM1A 596/4885MAOB 221/4885
US-11034704-B2 Muscarinic receptor agonists CHRM1, CHRM2, CHRM3 TSHR 94/4885KDM1A 1848/4885MAOB 404/4885

“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.