SCHEMBL14078225

SCHEMBL14078225

COc1cc(CNCC2CC2)ccc1OCc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ BCHE P06276 1/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PLK1 P53350 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 2/20 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
SCHEMBL14078226 0.94 HTR2C (0.53) RAB9ANPC1PKMBCHEKMT2A
SCHEMBL18306072 0.86 KMT2A (0.47) RAB9APKMKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL18306078 0.85 KMT2A (0.49) RAB9APKMKMT2AMEN1MAPT
SCHEMBL5114841 0.81 LMNA (0.67) RAB9ANPC1PKMBCHEKMT2A
SCHEMBL20325040 0.81 PLK1 (0.59) RAB9ANPC1PKMBCHEKMT2A
SCHEMBL68512 0.80 MEN1 (0.56) RAB9ANPC1PKMBCHEKMT2A
SCHEMBL69161 0.80 BCHE (0.69) RAB9ANPC1PKMBCHEKMT2A
SCHEMBL20246693 0.79 MAOB (0.55) RAB9ABCHEKMT2AMEN1MAPT
SCHEMBL15508239 0.79 L3MBTL1 (0.64) RAB9ANPC1BCHEKMT2AMEN1
SCHEMBL14606624 0.78 KDM4E (0.52) KMT2AMEN1POLBNPSR1ALDH1A1

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 RAB9A 4423/4885NPC1 693/4885PKM 2146/4885

“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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