SCHEMBL2739172

SCHEMBL2739172

CNC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.67
SLC6A3 Q01959 18/20 0.67
SLC6A2 P23975 11/20 0.67
CYP3A4 P08684 2/20 0.62
ALOX15 P16050 2/20 0.62
TSHR P16473 2/20 0.62
TP53 P04637 1/20 0.62
CHRM2 P08172 1/20 0.61
ADRA2A P08913 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61
HTR2A P28223 1/20 0.61
OPRK1 P41145 1/20 0.61
HTR2B P41595 1/20 0.61
KCNH2 Q12809 1/20 0.61
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59

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
SCHEMBL7187224 1.00 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL7184970 1.00 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL2314 0.98 SLC6A4 (0.65) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL7170390 0.86 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL8167375 0.85 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL2644 0.84 CYP3A4 (0.58) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL9117724 0.84 SLC6A4 (0.65) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL14089440 0.82 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL14089422 0.82 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL7550873 0.81 SLC6A3 (0.49) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103819632-B A kind of sibutramine magnetic molecularly imprinted polymer and preparation method thereof 南京医科大学 2016-07-06 CN claimed
CN-105636438-A Pharmaceutical composition comprising an AMPK activator and a serotonin active agent and uses thereof CHEN JIANHONG 2016-06-01 CN claimed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
CN-103819632-A Sibutramine magnetic molecularly imprinted polymer and preparation method thereof UNIV NANJING MEDICAL 2014-05-28 CN claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
US-20080161407-A1 METHODS FOR TREATING METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2008-07-03 US claimed
US-20080081826-A1 SYSTEM FOR EFFECTING WEIGHT LOSS ABBOTT LABORATORIES 2008-04-03 US claimed
EP-1653911-A2 METHODS FOR TREATING METABOLIC SYNDROME Abbott Laboratories (US) 2006-05-10 EP claimed
WO-2000056318-A1 TREATMENT OF NEUROPATHIC PAIN OR FIBROMYALGIA KNOLL PHARMACEUTICAL COMPANY (US) 2000-09-28 WO claimed
WO-2000056321-A1 TREATMENT OF HYPERACTIVITY DISORDERS KNOLL PHARMACEUTICAL COMPANY (US) 2000-09-28 WO claimed
WO-2000056150-A1 TREATMENT OF PREMENSTRUAL SYNDROME KNOLL PHARMACEUTICAL COMPANY (US) 2000-09-28 WO claimed
WO-2000056312-A1 TREATMENT OF PULMONARY HYPERTENSION KNOLL GMBH (DE) 2000-09-28 WO claimed
WO-2000056313-A1 METHOD OF CONTROLLING WEIGHT GAIN ASSOCIATED WITH THERAPEUTIC DRUGS KNOLL GMBH (DE) 2000-09-28 WO claimed
WO-2000056317-A1 WEIGHT LOSS AFTER PREGNANCY KNOLL GMBH (DE) 2000-09-28 WO claimed
WO-2000054765-A1 METHOD OF TREATING EATING DISORDERS KNOLL GMBH (DE) 2000-09-21 WO claimed
US-6046242-A ADMINISTERING TO A PATIENT AN EFFECTIVE AMOUNT OF CHLOROBENZENE SUBSTITUTED CYCLOBUTYLALKYLAMINE COMPOUND TO TREAT URINARY INCONTINENCE BASF AKTIENGESELLSCHAFT (DE) 2000-04-04 US claimed
WO-1995021615-A1 USE OF ARYLCYCLOBUTYLALKYLAMINES FOR THE TREATMENT OF SEIZURES AND NEUROLOGICAL DISORDERS KNOLL AG (DE) 1995-08-17 WO claimed
US-4522828-A CYCLOBUTYLALKYLAMINE COMPOUNDS, ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1985-06-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080161407-A1 METHODS FOR TREATING METABOLIC SYNDROME GPR119, CPT1A, GYS2 SLC6A4 767/4885SLC6A3 1417/4885SLC6A2 556/4885
US-20080081826-A1 SYSTEM FOR EFFECTING WEIGHT LOSS GIPR, MGLL, GLP1R SLC6A4 746/4885SLC6A3 696/4885SLC6A2 266/4885

“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.