SCHEMBL12196340

SCHEMBL12196340

O=C(NC1CN2CCC1CC2)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.70
HTR3E A5X5Y0 4/20 0.66
HTR3B O95264 4/20 0.66
HTR3A P46098 4/20 0.66
HTR3D Q70Z44 4/20 0.66
HTR3C Q8WXA8 4/20 0.66
ALOX15 P16050 1/20 0.66
TSHR P16473 1/20 0.66
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57

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
SCHEMBL373028 1.00 CHRNA7 (0.70) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6305219 0.95 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL3216388 0.88 CHRNA7 (0.78) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL3225472 0.88 CHRNA7 (0.78) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL2218010 0.88 CHRNA7 (0.78) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL18704540 0.86 CHRNA7 (0.76) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7278119 0.86 CHRNA7 (0.76) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL2230266 0.85 CHRNA7 (0.74) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL372943 0.85 CHRNA7 (0.74) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL3499803 0.85 CHRNA7 (0.74) CHRNA7HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180021217-A1 TREATMENT OF BLEEDING BY NON-INVASIVE STIMULATION THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2018-01-25 US disclosed
US-9592228-B2 Treatment of inflammation using alpha 7 receptor-binding agonists THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2017-03-14 US disclosed
US-20150359785-A1 TREATMENT OF INFLAMMATION USING ALPHA 7 RECEPTOR-BINDING AGONISTS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2015-12-17 US disclosed
US-8865641-B2 Methods of treatment of fatty liver disease by pharmacological activation of cholinergic pathways THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2014-10-21 US disclosed
US-8729129-B2 Neural tourniquet THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2014-05-20 US disclosed
US-20120322719-A1 METHODS OF TREATMENT OF FATTY LIVER DISEASE BY PHARMACOLOGICAL ACTIVATION OF CHOLINERGIC PATHWAYS THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2012-12-20 US disclosed
US-20110245286-A1 TREATMENT OF INFLAMMATION USING ALPHA 7 RECEPTOR-BINDING AGONISTS THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-06 US disclosed
US-20110166148-A1 TREATMENT OF INFLAMMATION USING ALPHA 7 RECEPTOR-BINDING CHOLINERGIC AGONISTS THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2011-07-07 US disclosed
US-20110112128-A1 METHOD OF TREATING ILEUS BY PHARMACOLOGICAL ACTIVATION OF CHOLINERGIC RECEPTORS TRACEY KEVIN J 2011-05-12 US disclosed
US-20100256341-A1 TREATMENT OF INFLAMMATION USING ALPHA 7 RECEPTOR-BINDING CHOLINERGIC AGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-07 US disclosed
US-7785808-B2 Treatment of inflammation using α7 receptor-binding cholinergic agonists THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2010-08-31 US disclosed
US-20100040607-A1 Combination Therapy with Inhibitors of HMGB and Caspase for the Treatment of Inflammatory Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-18 US disclosed
US-20090123456-A1 Treatment of pancreatitis using alpha 7 receptor-binding cholinergic agonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-14 US disclosed
US-7273872-B2 alpha 7 receptor is the alpha -bungarotoxin sensitive receptor that influences the release of proinflammatory cytokines from macrophages THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2007-09-25 US disclosed
US-20070213350-A1 Method of treating ileus by pharmacological activation of cholinergic receptors TRACEY KEVIN J 2007-09-13 US disclosed
US-7238715-B2 Treatment of pancreatitis using alpha 7 receptor-binding cholinergic agonists THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2007-07-03 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-20070213350-A1 Method of treating ileus by pharmacological activation of cholinergic receptors ACHE, CHRM3, CHRM5 CHRNA7 10/4885HTR3E 262/4885HTR3B 134/4885
US-20100256341-A1 TREATMENT OF INFLAMMATION USING ALPHA 7 RECEPTOR-BINDING CHOLINERGIC AGONISTS CHRNA7, CHRNA5, CHRNA4 CHRNA7 1/4885HTR3E 1861/4885HTR3B 571/4885
US-20110166148-A1 TREATMENT OF INFLAMMATION USING ALPHA 7 RECEPTOR-BINDING CHOLINERGIC AGONISTS CHRNA7, CHRNA5, CHRNA4 CHRNA7 1/4885HTR3E 1861/4885HTR3B 571/4885
US-20110112128-A1 METHOD OF TREATING ILEUS BY PHARMACOLOGICAL ACTIVATION OF CHOLINERGIC RECEPTORS ACHE, CHRM3, CHRM5 CHRNA7 10/4885HTR3E 262/4885HTR3B 134/4885
US-20110245286-A1 TREATMENT OF INFLAMMATION USING ALPHA 7 RECEPTOR-BINDING AGONISTS CHRNA7, CHRNG, CHRNA1 CHRNA7 1/4885HTR3E 1076/4885HTR3B 467/4885
US-20100040607-A1 Combination Therapy with Inhibitors of HMGB and Caspase for the Treatment of Inflammatory Diseases HMGB2, HMGB3, HMGB1 CHRNA7 4552/4885HTR3E 2049/4885HTR3B 1271/4885
US-20120322719-A1 METHODS OF TREATMENT OF FATTY LIVER DISEASE BY PHARMACOLOGICAL ACTIVATION OF CHOLINERGIC PATHWAYS CHAT, CHKB, CHRM2 CHRNA7 20/4885HTR3E 2318/4885HTR3B 657/4885
US-20090123456-A1 Treatment of pancreatitis using alpha 7 receptor-binding cholinergic agonists CHRNA7, CHRNA5, CHRNA4 CHRNA7 1/4885HTR3E 2084/4885HTR3B 564/4885
US-20150359785-A1 TREATMENT OF INFLAMMATION USING ALPHA 7 RECEPTOR-BINDING AGONISTS CHRNA7, CHRNG, CHRNA1 CHRNA7 1/4885HTR3E 1076/4885HTR3B 467/4885

“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.