SCHEMBL3089236

SCHEMBL3089236

O=C(c1ccc(Cl)cc1)N1CCN(C2CN(C(=O)c3ccc4ccccc4n3)CC2O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ TSHR P16473 1/20 0.51
▸ CNR2 P34972 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ GRIN2B Q13224 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SLC18A3 Q16572 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ FASN P49327 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL13157897 1.00 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPK1TSHRCNR2
SCHEMBL3092598 0.88 PTK2 (0.53) SMN1; SMN2RAB9AMAPK1ALDH1A1MEN1
SCHEMBL13157941 0.88 PTK2 (0.53) SMN1; SMN2RAB9AMAPK1ALDH1A1MEN1
SCHEMBL13157898 0.86 GRIN2B (0.59) SMN1; SMN2RAB9AMAPK1TSHRCNR2
SCHEMBL1257910 0.86 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AMAPK1CNR2ALDH1A1
SCHEMBL6372084 0.86 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AMAPK1CNR2ALDH1A1
SCHEMBL3109744 0.86 GRIN2B (0.59) SMN1; SMN2RAB9AMAPK1TSHRCNR2
SCHEMBL3105142 0.85 POLB (0.55) ALDH1A1GAAMEN1KMT2ASLC18A3
SCHEMBL13157795 0.85 POLB (0.55) ALDH1A1GAAMEN1KMT2ASLC18A3
SCHEMBL13158203 0.85 POLB (0.55) ALDH1A1GAAMEN1KMT2ASLC18A3

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-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 — — US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 — — 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-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 SMN1; SMN2 4691/4885RAB9A 1334/4885MAPK1 996/4885

“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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