SCHEMBL4136645

SCHEMBL4136645

O=CN(c1ccccc1)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.43
SLC6A2 P23975 10/20 0.43
SLC6A3 Q01959 7/20 0.43
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HRH1 P35367 2/20 0.40
CYP2D6 P10635 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
SCN1A P35498 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
KCNH2 Q12809 2/20 0.38
GBA1 P04062 1/20 0.38
NOS2 P35228 1/20 0.37
CACNA1B Q00975 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
SCHEMBL3245656 0.87 HTT (0.36) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL14855593 0.85 TRPM8 (0.41) MEN1KMT2A
SCHEMBL14855772 0.83 TRPM8 (0.44) MEN1KMT2A
SCHEMBL13980906 0.83 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3CYP2D6MEN1
SCHEMBL5774531 0.83 MKNK1 (0.35) SLC6A4SLC6A2SLC6A3
SCHEMBL14855822 0.81 TRPM8 (0.46) MEN1KMT2A
SCHEMBL3245978 0.81 TRPM8 (0.46) MEN1KMT2A
SCHEMBL28795892 0.78 SLC18A3 (0.42) SLC6A4SLC6A2SLC18A3SIGMAR1HRH1
SCHEMBL25053285 0.77 SLC6A2 (0.32) SLC6A4SLC6A2SLC6A3SLC18A3SIGMAR1
SCHEMBL15284332 0.76 HTR2A (0.49) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115252550-A Propofol oral anesthetic and pH value adjusting method thereof 郭晓光 2022-11-01 CN disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 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 (3 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM SLC6A4 4753/4885SLC6A2 4195/4885SLC6A3 4726/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 SLC6A4 2442/4885SLC6A2 2606/4885SLC6A3 1623/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 SLC6A4 2394/4885SLC6A2 2827/4885SLC6A3 1522/4885

“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.