SCHEMBL2931996

SCHEMBL2931996

C1CCC(C2CNCCN2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTR6 P50406 1/20 0.30

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
SCHEMBL28119029 1.00 EPAS1 (0.33) EPAS1ALDH1A1HTR6
SCHEMBL8193143 0.98 EPAS1 (0.32) EPAS1ALDH1A1
Piperazine SCHEMBL9068838 0.98 EPAS1 (0.32) EPAS1ALDH1A1
SCHEMBL27492799 0.98 EPAS1 (0.34) EPAS1ALDH1A1HTR6
SCHEMBL23373293 0.93 HTR2C (0.32) EPAS1
SCHEMBL8873462 0.88 EPAS1 (0.36) EPAS1ALDH1A1
SCHEMBL17335 0.87
SCHEMBL16908175 0.87
SCHEMBL17336 0.87
Hydrochloric Acid SCHEMBL29197502 0.85 L3MBTL1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4705788-A Novel antibacterial 7-amino-1(substituted cyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US claimed
EP-3252045-B1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC (US) 2019-09-04 EP disclosed
EP-3252045-B1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC (US) 2019-09-04 EP disclosed
US-10112911-B2 Substituted cyanoguanidines as oral anti-virals ABBVIE INC. (US) 2018-10-30 US disclosed
EP-2867221-B1 CYANOGUANIDINES AND THEIR SUE AS ANTIVIRAL AGENTS. ABBVIE INC (US) 2018-01-17 EP disclosed
EP-2867221-B1 CYANOGUANIDINES AND THEIR SUE AS ANTIVIRAL AGENTS. ABBVIE INC (US) 2018-01-17 EP disclosed
EP-3252045-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2017-12-06 EP disclosed
EP-3252045-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2017-12-06 EP disclosed
US-20150322045-A1 CYANOGUANIDINES AND USES THEREOF ABBVIE INC. 2015-11-12 US disclosed
US-20150322045-A1 CYANOGUANIDINES AND USES THEREOF ABBVIE INC. 2015-11-12 US disclosed
US-4705788-A Novel antibacterial 7-amino-1(substituted cyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
EP-0225552-A2 Pure enantiomeric 1,8-bridged-4-quinolo-3-carboxylic acids, process for their preparation and medicaments containing them, and their use in the preparation of medicaments BAYER AG (DE) 1987-06-16 EP disclosed
EP-0224176-A1 Process for preparing oligomers and telechelics with carboxy-piperazine units, and oligomers and telechelics of poly(carboxypiperazine) BAYER AG (DE) 1987-06-03 EP disclosed
CN-86104256-A 1, the preparation method of 8-bridging 4-quinolone-3-carboxylic-acid 1987-03-18 CN disclosed
EP-0206076-A2 1,8-Bridged 4-quinolone-3-carboxylic acids, process for their preparation as well as medicaments containing them, and their use for the preparation of medicaments BAYER AG (DE) 1986-12-30 EP disclosed
EP-0198192-A1 7-Amino-1-(subst.cyclopropyl)-1,4 -dihydro-4-oxo-quinoline carboxylic acids, method for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-10-22 EP disclosed
US-4599334-A 7-(3-aryl-1-piperazinyl)- and 7-(3-cyclohexyl-1-piperazinyl)-3-quinolonecarboxylic acid antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1986-07-08 US disclosed
EP-0169993-A2 7-(3-Aryl-1-piperazinyl) and 7-(3-cyclohexyl-1-piperazinyl) 3-quinoline carboxylic acids BAYER AG (DE) 1986-02-05 EP disclosed
EP-0167763-A1 7-Amino-1-cyclopropyl-6,8-dihalo-1,4-dihydro-4-oxo-3-quinoline-carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-01-15 EP disclosed
EP-0164619-A1 2,4,5-Trihalo or 2,3,4,5-tetrahalo benzene derivatives and process for producing them BAYER AG (DE) 1985-12-18 EP 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-20150322045-A1 CYANOGUANIDINES AND USES THEREOF GMPS, RNGTT, RNMT EPAS1 2971/4885ALDH1A1 3960/4885HTR6 3358/4885
US-10112911-B2 Substituted cyanoguanidines as oral anti-virals RNGTT, GMPS, RNMT EPAS1 3558/4885ALDH1A1 4019/4885HTR6 3546/4885

“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.