SCHEMBL14368689

SCHEMBL14368689

O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1ccc(OC(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALOX15 P16050 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ ADAM17 P78536 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CCR3 P51677 4/20 0.42
▸ SSTR3 P32745 1/20 0.41

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
SCHEMBL27757308 1.00 ALDH1A1 (0.53) ALDH1A1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL14392659 1.00 ALDH1A1 (0.53) ALDH1A1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL14368693 0.85 KMT2A (0.55) ALDH1A1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL14392349 0.85 KMT2A (0.55) ALDH1A1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL27778266 0.85 HRH3 (0.48) ALDH1A1
SCHEMBL14368747 0.85 HRH3 (0.48) ALDH1A1
SCHEMBL27757345 0.84 SSTR3 (0.55) NPC1RAB9ACCR3SSTR3
SCHEMBL14368669 0.84 SSTR3 (0.55) NPC1RAB9ACCR3SSTR3
SCHEMBL4423112 0.82 KDM4E (0.47) ALDH1A1KMT2ANPC1RAB9ATSHR
SCHEMBL14368810 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD

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 ALDH1A1 1047/4885HTT 2970/4885KMT2A 3736/4885

“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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