SCHEMBL11545552

SCHEMBL11545552

O=C1CC2(CCCCC2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE7A Q13946 1/20 0.39
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
HPGD P15428 1/20 0.37
PGR P06401 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL11544901 0.98 HRH3 (0.47) HRH3ALDH1A1POLBMAPK1NPSR1
SCHEMBL16133545 0.90 HRH3 (0.46) HRH3ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL8525180 0.85 CYP2A6 (0.42) HRH3ALDH1A1POLBMAPK1NPSR1
SCHEMBL394558 0.81 HRH3 (0.41) HRH3ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL18494336 0.81 CYP2A6 (0.42) HRH3ALDH1A1POLBMAPK1NPSR1
Hydrochloric Acid SCHEMBL2101720 0.80 HRH3 (0.41) HRH3ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL25358288 0.79 HRH3 (0.48) HRH3ALDH1A1POLBPGRMEN1
SCHEMBL13518434 0.79 HRH3 (0.48) HRH3ALDH1A1POLBMEN1KMT2A
SCHEMBL13227675 0.79 HRH3 (0.48) HRH3ALDH1A1POLBMEN1KMT2A
SCHEMBL3287322 0.79 HRH3 (0.54) HRH3ALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263544-B1 INDOLO[3.2.1-JK]CARBAZOLE-6-CARBONITRILE DERIVATIVES AS BLUE EMITTERS IN OLEDS UDC IRELAND LTD (IE) 2026-05-13 EP disclosed
EP-4676208-A2 NITROGEN-CONTAINING HETERO-AROMATICS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2026-01-07 EP disclosed
EP-4263746-B1 NITROGENOUS HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2025-10-01 EP disclosed
US-20240101560-A1 NITROGENOUS HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2024-03-28 US disclosed
WO-2022129114-A1 NITROGENOUS COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
WO-2022129113-A1 NITROGENOUS HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
WO-2022129116-A1 INDOLO[3.2.1-JK]CARBAZOLE-6-CARBONITRILE DERIVATIVES AS BLUE FLUORESCENT EMITTERS FOR USE IN OLEDS MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
US-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-4172093-A Pharmacodynamically active indan derivatives AB KABI (SE) 1979-10-23 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 (4 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-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 HRH3 143/4885ALDH1A1 2356/4885POLB 4473/4885
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 HRH3 143/4885ALDH1A1 2356/4885POLB 4473/4885
US-20240101560-A1 NITROGENOUS HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES NES, NCL, NPM1 HRH3 1232/4885ALDH1A1 2268/4885POLB 1377/4885
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 HRH3 261/4885ALDH1A1 1353/4885POLB 4708/4885

“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.