SCHEMBL23701414

SCHEMBL23701414

CC(C)(C)NC(=O)N1CC2CN(c3ccc(N4CCS(=O)(=O)CC4)cc3)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.37
RORC P51449 1/20 0.37
CSNK1E P49674 1/20 0.37
AKT1 P31749 1/20 0.37
PIK3CA P42336 1/20 0.37
FAAH O00519 9/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
SYK P43405 1/20 0.36
BRD4 O60885 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
SCHEMBL23701413 1.00 ALDH1A1 (0.48) ALDH1A1KDM4ELMNARORCCSNK1E
SCHEMBL23701357 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EAKT1PIK3CAFAAH
SCHEMBL23701359 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EAKT1PIK3CAFAAH
SCHEMBL27400148 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAMAPT
SCHEMBL23701419 0.79 KDM4E (0.45) ALDH1A1KDM4EFAAHABHD6SYK
SCHEMBL23701417 0.79 KDM4E (0.45) ALDH1A1KDM4EFAAHABHD6SYK
SCHEMBL23701411 0.78 SMN1; SMN2 (0.55) ALDH1A1KDM4EGAAMAPTGFER
SCHEMBL23701410 0.78 SMN1; SMN2 (0.55) ALDH1A1KDM4EGAAMAPTGFER
SCHEMBL23732269 0.74 AKR1C3 (0.51) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL23732380 0.69 BPTF (0.56) ALDH1A1KDM4EFAAH

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-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-06-25 US disclosed
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-08-05 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-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors LOX, LOXL1, LOXL3 ALDH1A1 765/4885KDM4E 685/4885LMNA 983/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 ALDH1A1 765/4885KDM4E 685/4885LMNA 983/4885

“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.