SCHEMBL6294561

SCHEMBL6294561

CN1CCN(c2nccc(N3CCNCC3(C)C)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.42
HRH3 Q9Y5N1 2/20 0.42
SORD Q00796 1/20 0.41
ACHE P22303 4/20 0.39
ADRB1 P08588 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR3A P46098 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL6293493 0.77 PIM1 (0.35) HRH4HRH3PIM1PIM2
SCHEMBL6294830 0.75 HRH3 (0.38) HRH4HRH3CYP1A2HSD17B10PIM1
SCHEMBL6294676 0.73 PIM1 (0.39) HRH4HRH3CYP1A2HSD17B10PIM1
SCHEMBL6294648 0.72 PIM1 (0.33) HRH4HRH3PIM1PIM2
SCHEMBL6822451 0.72 SORD (0.64) SORD
SCHEMBL6293136 0.72 SORD (0.64) SORD
SCHEMBL1088608 0.71 HRH4 (0.59) HRH4HRH3SORDALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL16236202 0.70 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6HSD17B10PIM1
SCHEMBL6294562 0.70 SORD (0.60) HRH4HRH3SORDACHECCNT1
SCHEMBL20129631 0.70 PLD1 (0.54) ALDH1A1CYP1A2CYP2D6HSD17B10PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936600-B2 Sorbitol dehrydrogenase inhibitors PFIZER INC (US) 2005-08-30 US disclosed
US-6869943-B2 Sorbitol dehydrogenase inhibitors PFIZER INC (US) 2005-03-22 US disclosed
US-20050020578-A1 Sorbitol dehydrogenase inhibitors PFIZER INC. 2005-01-27 US disclosed
US-20040077671-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2004-04-22 US disclosed
US-6660740-B1 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-12-09 US disclosed
US-6602875-B2 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-08-05 US disclosed
US-20030065179-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2003-04-03 US disclosed
US-6414149-B1 TREATING DIABETES, TREATING OR PREVENTING DIABETIC COMPLICATIONS PFIZER INC. 2002-07-02 US disclosed
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 EP disclosed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 WO 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-20050020578-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 HRH4 1966/4885HRH3 2194/4885SORD 2/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 HRH4 2106/4885HRH3 2479/4885SORD 2/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 HRH4 2106/4885HRH3 2479/4885SORD 2/4885

“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.