SCHEMBL6250754

SCHEMBL6250754

CCNCCCN[C@H]1CC[C@H](NCCCNCC)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.55
MEN1 O00255 1/20 0.55
GLA P06280 1/20 0.55
KMT2A Q03164 1/20 0.55
SAT1 P21673 2/20 0.54
CYP1A2 P05177 1/20 0.52
TSHR P16473 1/20 0.46
KDM1A O60341 4/20 0.44
CXCR4 P61073 9/20 0.44
CXCL12 P48061 1/20 0.44
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42

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
SCHEMBL6250764 1.00 CYP2C19 (0.55) CYP2C19MEN1GLAKMT2ASAT1
SCHEMBL15884114 1.00 CYP2C19 (0.55) CYP2C19MEN1GLAKMT2ASAT1
Hydrochloric Acid SCHEMBL7563057 0.98 CYP2C19 (0.52) CYP2C19MEN1GLAKMT2ASAT1
Hydrochloric Acid SCHEMBL7563067 0.98 CYP2C19 (0.52) CYP2C19MEN1GLAKMT2ASAT1
Hydrochloric Acid SCHEMBL5963043 0.93 GNAI3 (0.50) CYP2C19MEN1GLAKMT2ASAT1
Hydrochloric Acid SCHEMBL5963045 0.93 GNAI3 (0.50) CYP2C19MEN1GLAKMT2ASAT1
SCHEMBL20052077 0.89 CXCR4 (0.58) CYP2C19MEN1GLAKMT2ASAT1
SCHEMBL8852124 0.86 GNAI3 (0.62) CYP2C19MEN1GLAKMT2ASAT1
SCHEMBL8852122 0.86 SAT1 (0.46) CYP2C19MEN1GLAKMT2ASAT1
SCHEMBL18236766 0.85

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
US-20050113455-A1 Method and composition for amelioration of pain UNIVERSITY OF FLORIDA 2005-05-26 US claimed
WO-2005041988-A1 METHOD AND COMPOSITION FOR PAIN AMELIORATION UNIVERSITY OF FLORIDA (US) 2005-05-12 WO claimed
US-20050113455-A1 Method and composition for amelioration of pain UNIVERSITY OF FLORIDA 2005-05-26 US disclosed
WO-2005041988-A1 METHOD AND COMPOSITION FOR PAIN AMELIORATION UNIVERSITY OF FLORIDA (US) 2005-05-12 WO disclosed
US-6818656-B2 ADMINISTERING POLYAMINE TO TREAT DIARRHEA UNIVERSITY OF FLORIDA 2004-11-16 US disclosed
US-20040072864-A1 Method and composition for treatment of irritable bowel disease BERGERON RAYMOND J (US) 2004-04-15 US disclosed
US-6664270-B2 Utilizing small amounts of at least two polyamines; long term, safe, efficacious UNIVERSITY OF FLORIDA 2003-12-16 US disclosed
US-20030153582-A1 Method and composition for treatment of irritable bowel disease FLORIDA, UNIVERSITY OF 2003-08-14 US disclosed
US-6458795-B1 A METHOD AND COMPOSITION FOR TREATING IRRITABLE BOWEL SYNDROME IN A SUBJECT IN NEED OF SUCH TREATMENT, UTILIZING AN AMOUNT OF A POLYAMINE OR POLYAMINE WITH AN ETHER UNIVERSITY OF FLORIDA 2002-10-01 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 (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-20030153582-A1 Method and composition for treatment of irritable bowel disease HRH2, HRH4, HRH3 CYP2C19 2295/4885MEN1 4339/4885GLA 4774/4885
US-20040072864-A1 Method and composition for treatment of irritable bowel disease HRH2, HRH4, HRH3 CYP2C19 2295/4885MEN1 4339/4885GLA 4774/4885
US-20050113455-A1 Method and composition for amelioration of pain SIGMAR1, ADORA2B, OPRL1 CYP2C19 2079/4885MEN1 2057/4885GLA 4503/4885

“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.