SCHEMBL5584812

SCHEMBL5584812

COc1cccc2c1OCC(C(=O)N(C)C)=C2

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MAPT P10636 2/20 0.60
POLB P06746 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NR1H4 Q96RI1 1/20 0.59
ALDH1A1 P00352 1/20 0.56
TP53 P04637 2/20 0.56
MEN1 O00255 2/20 0.55
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
ALOX5 P09917 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
SCHEMBL9058215 0.85 KMT2A (0.70) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL981963 0.85 KMT2A (0.70) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL9057396 0.81 KMT2A (0.65) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL5584538 0.81 KMT2A (0.47) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL5584537 0.81 KMT2A (0.47) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL5584972 0.76 KMT2A (0.59) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL266610 0.73 KMT2A (0.55) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL30524337 0.73 KMT2A (0.55) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL7386387 0.73 CA12 (0.63) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL31561657 0.72 KMT2A (0.54) KMT2ANPC1RAB9AMAPTPOLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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 (2 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KMT2A 765/4885NPC1 2906/4885RAB9A 2487/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KMT2A 765/4885NPC1 2906/4885RAB9A 2487/4885

“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.