SCHEMBL14078226

SCHEMBL14078226

COc1cc(CNCC2CCCCC2)ccc1OCc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.53
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ BCHE P06276 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PLK1 P53350 1/20 0.47
▸ RECQL P46063 1/20 0.47

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
SCHEMBL14078225 0.94 RAB9A (0.53) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL18306072 0.93 KMT2A (0.47) HTR2CRAB9APKMKMT2AMEN1
Hydrochloric Acid SCHEMBL18306078 0.92 KMT2A (0.49) HTR2CRAB9APKMKMT2AMEN1
SCHEMBL18313460 0.83 NPC1 (0.46) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL18313620 0.81 HTR2C (0.46) HTR2CRAB9APKMKMT2AMEN1
SCHEMBL5114841 0.78 LMNA (0.67) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL20325040 0.78 PLK1 (0.59) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL8041968 0.77 SMN1; SMN2 (0.65) RAB9ANPC1ALDH1A1POLBKDM4E
SCHEMBL15508239 0.76 L3MBTL1 (0.64) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL20246693 0.76 MAOB (0.55) RAB9AKMT2AMEN1MAPTTDP1

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-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives BAYER HEALTHCARE AG (DE) 2008-09-04 — — US disclosed
US-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives BAYER HEALTHCARE AG (DE) 2008-09-04 — — 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-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives OPRL1, ADRA1A, CNR1 HTR2C 832/4885RAB9A 4423/4885NPC1 693/4885

“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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