SCHEMBL13158090

SCHEMBL13158090

O=C(c1ccc(Cl)cc1)N1CCN([C@H]2CN(C(=O)c3cc4cc(Cl)ccc4o3)C[C@@H]2O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.58
▸ RAB9A P51151 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ DPP4 P27487 1/20 0.52
▸ DPP8 Q6V1X1 1/20 0.52
▸ ENPP2 Q13822 1/20 0.48
▸ ATXN2 Q99700 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ TPSAB1 Q15661 2/20 0.47
▸ TPSD1 Q9BZJ3 2/20 0.47
▸ TPSG1 Q9NRR2 2/20 0.47
▸ F2 P00734 4/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL3092446 1.00 HRH4 (0.58) HRH4RAB9ANPC1DPP4DPP8
SCHEMBL13157900 0.91 ALDH1A1 (0.60) HRH4RAB9ANPC1ALDH1A1CA12
SCHEMBL3096439 0.91 ALDH1A1 (0.60) HRH4RAB9ANPC1ALDH1A1CA12
SCHEMBL3108214 0.87 RAB9A (0.54) HRH4RAB9ANPC1DPP4DPP8
SCHEMBL13158059 0.87 RAB9A (0.54) HRH4RAB9ANPC1DPP4DPP8
SCHEMBL3105142 0.84 POLB (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL13157795 0.84 POLB (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL13158203 0.84 POLB (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL3108284 0.82 CHRNB2 (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL13157943 0.82 CHRNB2 (0.47) ALDH1A1CA12CA1CA2CA7

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 6 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-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
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 — — US disclosed
US-7635698-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-22 — — US disclosed
US-7635698-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-22 — — 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 HRH4 448/4885RAB9A 1334/4885NPC1 683/4885

“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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