SCHEMBL10287529

SCHEMBL10287529

COc1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccc(O)cc3)CC1)C1C=CC=NC1CO2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 1/20 0.36
▸ SLC6A12 P48065 1/20 0.36
▸ SLC6A11 P48066 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ SIGMAR1 Q99720 5/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CCR1 P32246 1/20 0.32

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
SCHEMBL10287957 0.94 SIGMAR1 (0.37) SLC6A1SLC6A12SLC6A11ALDH1A1LMNA
SCHEMBL12121683 0.93 SIGMAR1 (0.38) SLC6A1SLC6A12SLC6A11ALDH1A1LMNA
SCHEMBL10288236 0.93 ALDH1A1 (0.41) SLC6A1SLC6A12SLC6A11ALDH1A1LMNA
SCHEMBL10287526 0.91 CCR1 (0.35) SLC6A1SLC6A12SLC6A11ALDH1A1LMNA
SCHEMBL13824429 0.91 ALDH1A1 (0.39) SLC6A1SLC6A12SLC6A11ALDH1A1LMNA
SCHEMBL12121526 0.91 SIGMAR1 (0.34) SLC6A1SLC6A12SLC6A11ALDH1A1LMNA
SCHEMBL13617254 0.91 DRD2 (0.36) SLC6A1SLC6A12SLC6A11ALDH1A1LMNA
SCHEMBL12121525 0.90 SIGMAR1 (0.35) SLC6A1SLC6A12SLC6A11ALDH1A1LMNA
SCHEMBL13617238 0.87 SLC6A1 (0.37) SLC6A1SLC6A12SLC6A11ALDH1A1LMNA
SCHEMBL13617243 0.86 CCR1 (0.34) SLC6A1SLC6A12SLC6A11ALDH1A1LMNA

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-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 — — US disclosed
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 — — 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-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 SLC6A1 1194/4885SLC6A12 1558/4885SLC6A11 1474/4885

“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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