SCHEMBL22015094

SCHEMBL22015094

CC(C)(C)OC(=O)N1C[C@@]2(C)CN(c3ccc(Br)cc3)C[C@@]2(C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
ESRRB O95718 1/20 0.47
ESR1 P03372 1/20 0.47
ESRRA P11474 1/20 0.47
ESRRG P62508 1/20 0.47
GPR119 Q8TDV5 7/20 0.45
ROCK2 O75116 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
NAMPT P43490 1/20 0.40
FPR3 P25089 2/20 0.39
FPR2 P25090 2/20 0.39
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL23701463 1.00 RORC (0.49) RORCMAPTALDH1A1LMNAESRRB
SCHEMBL21877081 0.88 RORC (0.47) RORCMAPTALDH1A1LMNAESRRB
SCHEMBL31282757 0.86 ALDH1A1 (0.48) RORCMAPTALDH1A1LMNAGPR119
SCHEMBL23701483 0.82 ALDH1A1 (0.50) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL23701482 0.82 MAPT (0.50) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL23732566 0.82 ALDH1A1 (0.50) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL31282724 0.82 LIPE (0.50) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL22805048 0.82 CYP3A4 (0.55) RORCMAPTALDH1A1LMNAESRRB
SCHEMBL23539079 0.82 GPR119 (0.49) RORCMAPTALDH1A1LMNAESRRB
SCHEMBL23732385 0.80 GPR119 (0.53) MAPTALDH1A1LMNAGPR119SMN1; SMN2

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 3 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-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
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 WO 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-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors LOX, LOXL1, LOXL3 RORC 2449/4885MAPT 4829/4885ALDH1A1 765/4885

“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.