SCHEMBL4139467

SCHEMBL4139467

CNCC1CC1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 1.00
SLC6A4 P31645 2/20 0.65
HTR2B P41595 6/20 0.57
MAOB P27338 5/20 0.57
HTR2A P28223 4/20 0.57
CNR1 P21554 1/20 0.47
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
MAOA P21397 3/20 0.43
CYP2C19 P33261 3/20 0.43
KDM1A O60341 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2A6 P11509 1/20 0.43

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
SCHEMBL14568843 1.00 HTR2C (1.00) HTR2CSLC6A4HTR2BMAOBHTR2A
SCHEMBL6337289 1.00 HTR2C (1.00) HTR2CSLC6A4HTR2BMAOBHTR2A
SCHEMBL4139470 1.00 HTR2C (1.00) HTR2CSLC6A4HTR2BMAOBHTR2A
SCHEMBL13069787 0.82 HTR2C (0.70) HTR2CSLC6A4HTR2BMAOBHTR2A
SCHEMBL13751890 0.82 HTR2C (0.69) HTR2CSLC6A4HTR2BMAOBHTR2A
SCHEMBL13751895 0.82 HTR2C (0.69) HTR2CSLC6A4HTR2BMAOBHTR2A
SCHEMBL13751894 0.82 HTR2C (0.69) HTR2CSLC6A4HTR2BMAOBHTR2A
SCHEMBL14568253 0.81 HTR2C (0.68) HTR2CSLC6A4HTR2BMAOBHTR2A
SCHEMBL22957768 0.81 HTR2C (0.68) HTR2CSLC6A4HTR2BHTR2ADRD2
SCHEMBL22957767 0.81 HTR2C (0.68) HTR2CSLC6A4HTR2BHTR2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011036074-A1 AMINOQUINAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-03-31 WO disclosed
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-13 US disclosed
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-13 US disclosed
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-13 US disclosed
WO-2007025144-A1 5-HT2C RECEPTOR AGONISTS AS ANORECTIC AGENTS UNIVERSITY OF ILLINOIS - CHICAGO (US) 2007-03-01 WO disclosed
US-6943162-B2 Osteoporosis; cardiovascular disorders; anticancer agents;incontinence SMITHKLINE BEECHAM CORPORATION (US) 2005-09-13 US disclosed
US-20040072829-A1 Piperazinyltriazines as estrogen receptor modulators SMITHKLINE BEECHAM CORPORATION 2004-04-15 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 (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-20040072829-A1 Piperazinyltriazines as estrogen receptor modulators GPER1, ESR2, ESR1 HTR2C 548/4885SLC6A4 3674/4885HTR2B 729/4885
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents HTR2C, HTR2A, HTR5A HTR2C 1/4885SLC6A4 55/4885HTR2B 4/4885

“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.