SCHEMBL3092598

SCHEMBL3092598

O=C(c1ccc(Cl)cc1)N1CC(O)C(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.53
▸ DPP4 P27487 2/20 0.48
▸ SLC18A3 Q16572 1/20 0.43
▸ CCR3 P51677 1/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ SLC6A7 Q99884 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL13157941 1.00 PTK2 (0.53) PTK2DPP4SLC18A3CCR3GRM5
SCHEMBL3089236 0.88 SMN1; SMN2 (0.54) SLC18A3SMN1; SMN2USP2CASP1CASP7
SCHEMBL13157897 0.88 SMN1; SMN2 (0.54) SLC18A3SMN1; SMN2USP2CASP1CASP7
SCHEMBL1255999 0.85 KDM4E (0.47) SLC18A3SMN1; SMN2USP2CASP1CASP7
SCHEMBL6372053 0.85 KDM4E (0.47) SLC18A3SMN1; SMN2USP2CASP1CASP7
SCHEMBL12916739 0.85 KDM4E (0.47) SLC18A3SMN1; SMN2USP2CASP1CASP7
SCHEMBL3105142 0.84 POLB (0.55) SLC18A3HPGDKMT2AHSD17B10MGLL
SCHEMBL13158203 0.84 POLB (0.55) SLC18A3HPGDKMT2AHSD17B10MGLL
SCHEMBL13157795 0.84 POLB (0.55) SLC18A3HPGDKMT2AHSD17B10MGLL
SCHEMBL3100371 0.79 FAAH (0.58) DPP4

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 PTK2 782/4885DPP4 2534/4885SLC18A3 2263/4885

“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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