SCHEMBL29978692

SCHEMBL29978692

CCC1CCCCN1c1ccc(Cl)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
NR1I2 O75469 2/20 0.46
SMARCA2 P51531 2/20 0.46
SMARCA4 P51532 2/20 0.46
PBRM1 Q86U86 2/20 0.46
POLB P06746 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
AR P10275 1/20 0.42
KMT2A Q03164 2/20 0.41
MDM2 Q00987 1/20 0.41

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
SCHEMBL23043609 1.00 KDM4E (0.50) KDM4EALDH1A1LMNAHTTNR1I2
SCHEMBL359524 0.86 KDM4E (0.50) KDM4EALDH1A1LMNAHTTPOLB
SCHEMBL29978338 0.84 NR1I2 (0.46) KDM4EALDH1A1LMNANR1I2SMARCA2
SCHEMBL23043647 0.84 NR1I2 (0.46) KDM4EALDH1A1LMNANR1I2SMARCA2
SCHEMBL28220645 0.78 AR (0.45) ALDH1A1NR1I2SMARCA2SMARCA4PBRM1
SCHEMBL25216748 0.74 NR1I2 (0.45) ALDH1A1NR1I2SMARCA2SMARCA4PBRM1
SCHEMBL23044073 0.72 NR1I2 (0.40) KDM4EALDH1A1HTTNR1I2SMARCA2
SCHEMBL29978088 0.72 NR1I2 (0.40) KDM4EALDH1A1HTTNR1I2SMARCA2
SCHEMBL5488642 0.71 CRHR1 (0.46) KDM4EALDH1A1LMNAPSEN1PSEN2
SCHEMBL9892986 0.71 FFAR1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF MCOLN1, MCOLN2, MCOLN3 KDM4E 4671/4885ALDH1A1 1368/4885LMNA 581/4885

“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.