SCHEMBL3288571

SCHEMBL3288571

CN1CCC(Oc2nc(Cl)c(F)cc2CN)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
HTR2B P41595 4/20 0.40
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
USP2 O75604 1/20 0.36
USP1 O94782 1/20 0.36
USP8 P40818 1/20 0.36
OTUB1 Q96FW1 1/20 0.36
USP36 Q9P275 1/20 0.36
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
UTS2R Q9UKP6 2/20 0.34

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
SCHEMBL3290404 0.78 NSD2 (0.41) HTR2CHTR2BUSP2USP1USP8
SCHEMBL5255836 0.75 KHK (0.41) HTR2CHTR2B
SCHEMBL18669443 0.73 CD274 (0.49) HTR2CHTR2B
Hydrochloric Acid SCHEMBL18669770 0.72 CD274 (0.48) HTR2CHTR2B
SCHEMBL3288370 0.70 SSTR4 (0.46) HTR2CHTR2B
SCHEMBL3288328 0.66 ALDH1A1 (0.34) USP2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4882024 0.66 KEAP1 (0.42)
SCHEMBL20069587 0.65 FPR2 (0.58)
SCHEMBL3294181 0.65 CHRM2 (0.47)
SCHEMBL18669615 0.65 GRM1 (0.37) HTR2CHTR2BSLC6A4PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO 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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 HTR2C 551/4885HTR2B 325/4885SLC6A4 547/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 HTR2C 551/4885HTR2B 325/4885SLC6A4 547/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 HTR2C 551/4885HTR2B 325/4885SLC6A4 547/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 HTR2C 608/4885HTR2B 339/4885SLC6A4 610/4885

“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.