SCHEMBL3097632

SCHEMBL3097632

O=C(c1ccc(Cl)cc1)N1CC(O)C(N2CCN(c3nccc(-c4ccccc4)n3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 6/20 0.50
HCRTR1 O43613 11/20 0.49
HCRTR2 O43614 11/20 0.49
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HCAR2 Q8TDS4 1/20 0.45
HSP90AB1 P08238 1/20 0.44
SLC6A3 Q01959 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
SCHEMBL13158037 1.00 SLC6A7 (0.50) SLC6A7HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL6371790 0.91 SLC6A7 (0.50) SLC6A7HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL1258219 0.91 SLC6A7 (0.50) SLC6A7HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL2399599 0.86 SLC6A7 (0.53) SLC6A7HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL6371729 0.86 SLC6A7 (0.53) SLC6A7HCRTR1HCRTR2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL4557356 0.85 SLC6A7 (0.62) SLC6A7ALDH1A1TSHRHSP90AB1SLC6A3
Hydrochloric Acid SCHEMBL4557354 0.85 SLC6A7 (0.62) SLC6A7ALDH1A1TSHRHSP90AB1SLC6A3
SCHEMBL6371749 0.80 SLC6A7 (0.51) SLC6A7HCRTR1HCRTR2ALDH1A1
SCHEMBL1257221 0.80 SLC6A7 (0.51) SLC6A7HCRTR1HCRTR2ALDH1A1
SCHEMBL3093054 0.79 HRH4 (0.44) SLC6A7HCRTR1HCRTR2HCAR2

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 SLC6A7 938/4885HCRTR1 359/4885HCRTR2 428/4885

“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.