SCHEMBL18372273

SCHEMBL18372273

CB(O)N1CCN(c2ccc(Br)cc2)C[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.37
▸ MAPT P10636 4/20 0.33
▸ IGF1R P08069 3/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ ESRRB O95718 2/20 0.31
▸ ESRRG P62508 2/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ MMP2 P08253 1/20 0.30
▸ MMP13 P45452 1/20 0.30
▸ ADAMTS5 Q9UNA0 1/20 0.30
▸ ACHE P22303 1/20 0.30

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
SCHEMBL18372272 0.76 LPL (0.35) —
SCHEMBL31276581 0.76 ADRA2A (0.44) HRH3
SCHEMBL29964416 0.76 ADRA2A (0.44) HRH3
SCHEMBL9915611 0.74 AKR1C3 (0.46) AKR1C3MAPTIGF1RDRD2DRD4
SCHEMBL16795056 0.73 AKR1C3 (0.43) AKR1C3MAPTUSP2ALDH1A1
SCHEMBL31111851 0.73 AKR1C3 (0.43) AKR1C3MAPTUSP2ALDH1A1
SCHEMBL24680910 0.72 KDM4E (0.37) AKR1C3MAPTIGF1RHRH3SLC6A2
SCHEMBL29104048 0.72 DRD2 (0.36) AKR1C3MAPTIGF1RHRH3SLC6A2
SCHEMBL29964267 0.70 HRH3 (0.40) AKR1C3MAPTHRH3SLC6A2SLC6A4
SCHEMBL27157555 0.70 HRH3 (0.40) AKR1C3MAPTHRH3SLC6A2SLC6A4

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-9643967-B2 Pyrrolo[3,2-c]pyridine derivatives as TLR inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-09 — — US disclosed
US-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-12 — — 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-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TLR9, TLR7, TLR1 AKR1C3 3769/4885MAPT 2966/4885IGF1R 1373/4885

“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.

Send feedback