SCHEMBL5584613

SCHEMBL5584613

Cc1nnc(-c2cc3cccc(O)c3o2)o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.42
AKR1C3 P42330 4/20 0.41
AR P10275 1/20 0.41
CBR1 P16152 1/20 0.41
MAOB P27338 4/20 0.41
F2RL3 Q96RI0 1/20 0.41
PDE4D Q08499 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
LCK P06239 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 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
SCHEMBL5584453 0.81 ALDH1A1 (0.53) MAOBF2RL3ADORA2AADORA1CA12
SCHEMBL5584343 0.80 NPC1 (0.52) MAOAMAOBADORA3ADORA2AADORA1
SCHEMBL5584744 0.78 AKR1C3 (0.42) MAOAAKR1C3ARCBR1F2RL3
SCHEMBL428470 0.77 F2RL3 (0.41) MAOAAKR1C3ARF2RL3PDE4D
SCHEMBL5584224 0.77 PDE4D (0.42) MAOAAKR1C3ARCBR1MAOB
SCHEMBL5585039 0.74 L3MBTL1 (0.50) MAOAAKR1C3ARCBR1MAOB
SCHEMBL5584746 0.72 F2RL3 (0.43) MAOAAKR1C3ARCBR1MAOB
SCHEMBL5003621 0.70 MAOA (0.59) MAOAAKR1C3ARCBR1MAOB
SCHEMBL10835670 0.69 RAB9A (0.55)
SCHEMBL30892693 0.69 MAOA (0.66) MAOAAKR1C3ARMAOBADORA3

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 MAOA 75/4885AKR1C3 2896/4885AR 1654/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A MAOA 75/4885AKR1C3 2896/4885AR 1654/4885

“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.