SCHEMBL16625857

SCHEMBL16625857

CCCCN(CCCC)CCOc1ccc(CCCCN)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48

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
SCHEMBL16572299 0.94 MEN1 (0.51) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL16572359 0.93 MEN1 (0.50) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL16572095 0.91 MEN1 (0.56) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL873480 0.88 CYP1A2 (0.57)
SCHEMBL8707341 0.87 HRH3 (0.53)
SCHEMBL25018426 0.84 MEN1 (0.46) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9036035 0.83 HTR2A (0.62) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL874547 0.82 HRH3 (0.70) ALDH1A1SMN1; SMN2
SCHEMBL3244586 0.82 HTR2A (0.65) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL22919760 0.81 MAPK1 (0.48) MEN1USP2ALDH1A1LMNACYP3A4

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-9260398-B2 Dendrimer like amino amides possessing sodium channel blocker activity for the treatment of dry eye and other mucosal diseases PARION SCIENCES, INC. (US) 2016-02-16 US disclosed
US-20150099764-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES, INC. (US) 2015-04-09 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-20150099764-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES SCNN1B, SCNN1A, SCNN1G MEN1 1650/4885USP2 4328/4885ALDH1A1 2317/4885

“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.