SCHEMBL19991503

SCHEMBL19991503

CN1CCN(c2ccc(-c3cn4c(n3)CCC4)cc2CN)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 13/20 0.60
LMNA P02545 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NCF1 P14598 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL19991547 0.81 WDR5 (0.64) WDR5LMNANPC1RAB9AHTT
SCHEMBL19991561 0.76 WDR5 (0.53) WDR5LMNANPC1RAB9AHTT
SCHEMBL19997719 0.75 WDR5 (0.84) WDR5
SCHEMBL19991502 0.74 WDR5 (0.74) WDR5
SCHEMBL19991538 0.72 WDR5 (0.59) WDR5LMNANPC1RAB9AHTT
SCHEMBL19991539 0.71 WDR5 (0.62) WDR5LMNANPC1RAB9AHTT
SCHEMBL3440357 0.70 LMNA (0.67) WDR5LMNANPC1RAB9AHTT
SCHEMBL19991519 0.70 WDR5 (0.62) WDR5LMNANPC1RAB9AHTT
SCHEMBL19991550 0.68 WDR5 (0.44) WDR5LMNANPC1RAB9AHTT
SCHEMBL9988367 0.68 NCF1 (0.56) LMNAHTTGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160763-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2018-12-25 US disclosed
US-20180086767-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2018-03-29 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 (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-20180086767-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 WDR5 1/4885LMNA 2637/4885NPC1 1121/4885
US-10160763-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR77 WDR5 1/4885LMNA 2637/4885NPC1 1121/4885

“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.