SCHEMBL14368754

SCHEMBL14368754

O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1cc(F)c(Cl)cc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HPGD P15428 4/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ CCR3 P51677 8/20 0.40
▸ POLB P06746 1/20 0.40
▸ SSTR3 P32745 2/20 0.39
▸ OPRK1 P41145 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ SCN9A Q15858 2/20 0.38

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
SCHEMBL27778277 0.86 F10 (0.49) NPC1TAS1R3TAS1R1TAS1R2CCR3
SCHEMBL14368809 0.86 F10 (0.49) NPC1TAS1R3TAS1R1TAS1R2CCR3
SCHEMBL27757451 0.81 CCR3 (0.48) NPC1RAB9ACCR3
SCHEMBL14368778 0.81 TAS1R3 (0.49) RAB9ASMN1; SMN2HPGDTAS1R3TAS1R1
SCHEMBL28944630 0.81 TAS1R3 (0.49) RAB9ASMN1; SMN2HPGDTAS1R3TAS1R1
SCHEMBL14392662 0.80 CCR3 (0.44) CCR3
SCHEMBL14392352 0.75 CHRNA7 (0.51) NPC1RAB9ASMN1; SMN2
SCHEMBL14368703 0.75 CHRNA7 (0.51) NPC1RAB9ASMN1; SMN2
SCHEMBL14368669 0.75 SSTR3 (0.55) NPC1RAB9ACCR3SSTR3
SCHEMBL27757300 0.75 CHRNA7 (0.51) NPC1RAB9ASMN1; SMN2

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 NPC1 1012/4885RAB9A 913/4885SMN1; SMN2 239/4885

“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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