SCHEMBL14368683

SCHEMBL14368683

O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.47
▸ HPGDS O60760 4/20 0.46
▸ HCRTR1 O43613 5/20 0.42
▸ CNR2 P34972 1/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CCR3 P51677 1/20 0.39

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
SCHEMBL14368990 0.84 CCR3 (0.44) CCR3
SCHEMBL4553193 0.84 CCR3 (0.44) CCR3
SCHEMBL14368732 0.83 HPGDS (0.58) HPGDSALDH1A1
SCHEMBL14368706 0.81 ACKR3 (0.47) ACKR3HPGDS
SCHEMBL4426712 0.81 ACKR3 (0.47) ACKR3HPGDS
SCHEMBL27757345 0.80 SSTR3 (0.55) CCR3
SCHEMBL14368669 0.80 SSTR3 (0.55) CCR3
SCHEMBL14368773 0.80 HPGDS (0.41) HPGDSCNR1ALDH1A1CCR3
SCHEMBL14368747 0.79 HRH3 (0.48) CNR1ALDH1A1
SCHEMBL27778266 0.79 HRH3 (0.48) CNR1ALDH1A1

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-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 ACKR3 278/4885HPGDS 732/4885HCRTR1 532/4885

“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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