SCHEMBL21397345

SCHEMBL21397345

NC1CC(N)CN(CC(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CYP2C19 P33261 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM1A O60341 2/20 0.43
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ RCOR1 Q9UKL0 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ SLC15A1 P46059 1/20 0.41
▸ MEN1 O00255 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
SCHEMBL22627228 0.91 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL22627224 0.91 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL23027037 0.86 LTA4H (0.48) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL22280532 0.86 LTA4H (0.48) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL19966271 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL23734315 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL16900141 0.83 SMN1; SMN2 (0.50) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL23054258 0.82 S1PR5 (0.57) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL25122471 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL25122374 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2

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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 — — 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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 ALDH1A1 3269/4885MAPK1 538/4885L3MBTL1 2611/4885

“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.

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