SCHEMBL3290404

SCHEMBL3290404

CN1CCC(Oc2nc(Cl)c(F)cc2C#N)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.41
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
KHK P50053 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CHEK1 O14757 3/20 0.37
KCNH2 Q12809 3/20 0.37
PGR P06401 1/20 0.37
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 1/20 0.35

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
SCHEMBL5255836 0.96 KHK (0.41) NSD2HTR2CHTR2BKHKTRPV4
SCHEMBL3288571 0.78 HTR2C (0.40) HTR2CHTR2BUSP2USP1USP8
SCHEMBL19499262 0.71 NSD2 (0.46) NSD2HRH3CHEK1PIK3CD
SCHEMBL3369618 0.71 HRH3 (0.44) KHKHRH3KCNH2
SCHEMBL3295720 0.70 SSTR4 (0.50) HRH3
SCHEMBL18669614 0.70 KHK (0.47) NSD2KHKPGR
SCHEMBL3369520 0.68 HRH3 (0.47) HRH3KCNH2
SCHEMBL3290433 0.66 KHK (0.44) KHKTRPV4
SCHEMBL29448447 0.66 KHK (0.69) KHKTRPV4
SCHEMBL165776 0.66 KHK (0.69) KHKTRPV4

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 8 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
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 NSD2 4532/4885HTR2C 551/4885HTR2B 325/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 NSD2 4532/4885HTR2C 551/4885HTR2B 325/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 NSD2 4532/4885HTR2C 551/4885HTR2B 325/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 NSD2 4608/4885HTR2C 608/4885HTR2B 339/4885

“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.