SCHEMBL16795056

SCHEMBL16795056

C[C@H]1CN(c2ccc(Br)cc2)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.43
▸ FAAH O00519 6/20 0.43
▸ CTSB P07858 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ GRM1 Q13255 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SCD5 Q86SK9 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ AGTR2 P50052 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
SCHEMBL31111851 1.00 AKR1C3 (0.43) AKR1C3FAAHCTSBCTSSCTSK
SCHEMBL27606539 0.86 FAAH (0.54) FAAHCTSBCTSSCTSKCHRM4
SCHEMBL20139213 0.86 FAAH (0.54) FAAHCTSBCTSSCTSKCHRM4
SCHEMBL9959713 0.85 NOTUM (0.54) AKR1C3FAAHCHRM4GRM1MAPT
SCHEMBL18040024 0.85 GFER (0.50) FAAHCTSBCTSSCTSKCHRM4
SCHEMBL16825000 0.85 GFER (0.50) FAAHCTSBCTSSCTSKCHRM4
SCHEMBL27208377 0.85 GFER (0.50) FAAHCTSBCTSSCTSKCHRM4
SCHEMBL31111640 0.83 CHRNB2 (0.46) CTSBCTSSCTSKCHRM4GRM1
SCHEMBL26133615 0.81 NOTUM (0.57) AKR1C3CHRM4MAPTCHRM2CHRM1
SCHEMBL28094591 0.81 AKR1C3 (0.40) AKR1C3MAPTALDH1A1USP2AGTR2

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 4 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
EP-3080124-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2016-10-19 — — EP disclosed
WO-2015088045-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-18 — — 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-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TLR9, TLR7, TLR1 AKR1C3 3769/4885FAAH 2881/4885CTSB 3274/4885

“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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