SCHEMBL13990342

SCHEMBL13990342

CN1CCC2(CC1)SCC(=O)N2C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
NEK2 P51955 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 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
SCHEMBL15381287 0.81 CHRM2 (0.34) CHRM2CHRM3NEK2ALDH1A1
SCHEMBL15478455 0.78 ALDH1A1 (0.33) ALDH1A1MAPK1ATM
SCHEMBL15434338 0.78 ALDH1A1 (0.35) CHRM2CHRM3NEK2ALDH1A1MAPK1
SCHEMBL4868611 0.73 PIN1 (0.34) CHRM2CHRM3NEK2ALDH1A1MAPK1
SCHEMBL4872745 0.71 PIN1 (0.48) ALDH1A1MAPK1ATM
SCHEMBL4903606 0.70 CHRM2 (0.34) CHRM2CHRM3ALDH1A1MAPK1ATM
SCHEMBL2604290 0.67
SCHEMBL7402227 0.65 NEK2 (0.33) CHRM2CHRM3NEK2
SCHEMBL24753711 0.64 CHRM2 (0.36) CHRM2CHRM3NEK2
SCHEMBL15381442 0.64 NEK2 (0.35) CHRM2CHRM3NEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3791875-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS Pain Therapeutics, Inc. (US) 2021-03-17 EP disclosed
EP-3054956-B1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS PAIN THERAPEUTICS INC (US) 2020-08-26 EP disclosed
EP-2882428-B1 A METHOD OF INHIBITING TAU PHOSPHORYLATION PAIN THERAPEUTICS INC (US) 2019-01-16 EP disclosed
EP-2872899-B1 ALZHEIMER'S DISEASE ASSAY IN A LIVING PATIENT PAIN THERAPEUTICS INC (US) 2018-07-11 EP disclosed
US-9500640-B2 Alzheimer's disease assay in a living patient PAIN THERAPEUTICS, INC. (US) 2016-11-22 US disclosed
US-9433604-B2 Method for inhibiting growth of cancer cells PAIN THERAPEUTICS INC. (US) 2016-09-06 US disclosed
US-9354223-B2 Alzheimer's disease assay in a living patient PAIN THERAPEUTICS INC. (US) 2016-05-31 US disclosed
US-9340558-B2 Filamin a binding anti-inflammatory and analgesic PAIN THERAPEUTICS INC. (US) 2016-05-17 US disclosed
US-20150148318-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS PAIN THERAPEUTICS, INC. 2015-05-28 US disclosed
US-20140113895-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS, INC. 2014-04-24 US disclosed
US-8653068-B2 Filamin A binding anti-inflammatory and analgesic PAIN THERAPEUTICS, INC. (US) 2014-02-18 US disclosed
US-20140018341-A1 METHOD OF INHIBITING TAU PHOSPHORYLATION CASSAVA SCIENCES, INC. 2014-01-16 US disclosed
US-20140017699-A1 ALZHEIMER'S DISEASE ASSAY IN A LIVING PATIENT CASSAVA SCIENCES, INC. 2014-01-16 US disclosed
US-8580809-B2 Filamin A-binding anti-inflammatory analgesic PAIN THERAPEUTICS, INC. (US) 2013-11-12 US disclosed
US-8580808-B2 Filamin A-binding anti-inflammatory analgesic Pain Therapeutic, Inc. (US) 2013-11-12 US disclosed
US-20080306103-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH 2008-12-11 US disclosed
US-7439251-B2 Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2008-10-21 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-20080306103-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR PMP22, PYGB, GAP43 CHRM2 365/4885CHRM3 302/4885NEK2 967/4885
US-20140018341-A1 METHOD OF INHIBITING TAU PHOSPHORYLATION FLNA, FLNB, MAPT CHRM2 2961/4885CHRM3 3059/4885NEK2 620/4885
US-20150148318-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS FLNA, FLNB, FSCN1 CHRM2 3080/4885CHRM3 3501/4885NEK2 502/4885
US-20140113895-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 CHRM2 1449/4885CHRM3 1430/4885NEK2 883/4885

“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.