SCHEMBL22812949

SCHEMBL22812949

O=C(Nc1ccc(Cl)cc1)C1CCN(c2ccnc3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.57
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
MALT1 Q9UDY8 4/20 0.54
PDGFRB P09619 1/20 0.53
IDO1 P14902 2/20 0.52
FAAH O00519 1/20 0.51
AKT1 P31749 1/20 0.51
MGLL Q99685 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL21289239 0.82 IDO1 (0.53) RXFP1LMNATP53MAPTTHRB
SCHEMBL22812952 0.82 PDGFRB (0.75) LMNAMAPTPDGFRBIDO1AKT1
SCHEMBL19000116 0.79 ADRB2 (0.57) PDGFRBAKT1ALDH1A1
SCHEMBL28818753 0.78 ADRB2 (0.56) PDGFRBAKT1ALDH1A1
SCHEMBL22262655 0.77 PDGFRB (0.52) MALT1PDGFRBIDO1FAAH
SCHEMBL21289874 0.75 IDO1 (0.54) RXFP1LMNATP53MAPTTHRB
SCHEMBL14145469 0.75 LMNA (0.53) RXFP1LMNATP53MAPTMALT1
SCHEMBL9342656 0.74 KMT2A (0.72) LMNAMAPTFAAHMGLL
SCHEMBL14599424 0.74 ACHE (0.59) PDGFRBIDO1
SCHEMBL20918176 0.73 IDO1 (0.56) PDGFRBIDO1FAAH

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-20210047290-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-02-18 US disclosed
EP-3753926-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2020-12-23 EP 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-20210047290-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR IDO1, IDO2, TPH1 RXFP1 209/4885LMNA 3506/4885TP53 4556/4885

“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.