SCHEMBL4247406

SCHEMBL4247406

[c]1cn(CCN2CCCCC2)nn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.37
TERT O14746 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 1/20 0.34
HRH1 P35367 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
DRD2 P14416 1/20 0.30
ACHE P22303 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
SCHEMBL2353670 0.83 KEAP1 (0.38) CYP2D6CYP2C19CYP3A4SIGMAR1L3MBTL1
SCHEMBL7352978 0.81 SMN1; SMN2 (0.36) CYP2D6CYP3A4SIGMAR1L3MBTL1ALDH1A1
SCHEMBL16432068 0.68 HRH3 (0.34) HRH3TERTCYP1A2CYP3A4HRH1
SCHEMBL5466977 0.68 HRH3 (0.69) HRH3TERTCYP1A2SIGMAR1L3MBTL1
SCHEMBL134912 0.68 HRH3 (0.69) HRH3TERTCYP1A2SIGMAR1L3MBTL1
SCHEMBL23828671 0.68 HRH3 (0.69) HRH3TERTCYP1A2SIGMAR1L3MBTL1
SCHEMBL12826 0.68 HRH3 (0.69) HRH3TERTCYP1A2SIGMAR1L3MBTL1
SCHEMBL4786815 0.68 HRH3 (0.69) HRH3TERTCYP1A2SIGMAR1L3MBTL1
SCHEMBL16316121 0.67 HRH3 (0.46) HRH3TERTCYP1A2CYP2D6CYP2C19
SCHEMBL1456056 0.67 HRH3 (0.33) HRH3TERTCYP1A2CYP3A4L3MBTL1

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-20090238760-A1 ANTISPERMATOGENIC, SPERMICIDAL AND/OR ANTIFUNGAL COMPOSITION AND METHODS OF USING THE SAME RESEARCH TRIANGLE INSTITUTE (US) 2009-09-24 US claimed
EP-2007374-A2 ANTISPERMATOGENIC, SPERMICIDAL AND/OR ANTIFUNGAL COMPOSITION AND METHODS OF USING THE SAME RESEARCH TRIANGLE INSTITUTE (US) 2008-12-31 EP claimed
WO-2007124353-A2 ANTISPERMATOGENIC, SPERMICIDAL AND/OR ANTIFUNGAL COMPOSITION AND METHODS OF USING THE SAME RESEARCH TRIANGLE INSTITUTE (US) 2007-11-01 WO claimed
US-5446037-A Antiallergens; elastase inhibitors SYNPHAR LABORATORIES, INC. (CA) 1995-08-29 US claimed
US-20090238760-A1 ANTISPERMATOGENIC, SPERMICIDAL AND/OR ANTIFUNGAL COMPOSITION AND METHODS OF USING THE SAME RESEARCH TRIANGLE INSTITUTE (US) 2009-09-24 US disclosed
EP-2007374-A2 ANTISPERMATOGENIC, SPERMICIDAL AND/OR ANTIFUNGAL COMPOSITION AND METHODS OF USING THE SAME RESEARCH TRIANGLE INSTITUTE (US) 2008-12-31 EP disclosed
WO-2007124353-A2 ANTISPERMATOGENIC, SPERMICIDAL AND/OR ANTIFUNGAL COMPOSITION AND METHODS OF USING THE SAME RESEARCH TRIANGLE INSTITUTE (US) 2007-11-01 WO disclosed
US-5446037-A Antiallergens; elastase inhibitors SYNPHAR LABORATORIES, INC. (CA) 1995-08-29 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 (1 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-20090238760-A1 ANTISPERMATOGENIC, SPERMICIDAL AND/OR ANTIFUNGAL COMPOSITION AND METHODS OF USING THE SAME NASP, CATSPER1, ACR HRH3 400/4885TERT 3235/4885CYP1A2 327/4885

“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.