SCHEMBL449446

SCHEMBL449446

[O]C1COOc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP2C9 P11712 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
CYP19A1 P11511 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL5541762 0.78 LTB4R (0.47) MAOBLTB4RLTB4R2CYP19A1DRD2
SCHEMBL1519101 0.77 ALDH1A1 (0.39) MAOAMAOBCYP2C9LTB4RLTB4R2
Hydrochloric Acid SCHEMBL27371209 0.76 ALDH1A1 (0.38) MAOAMAOBCYP2C9LTB4RLTB4R2
SCHEMBL7347250 0.75 KDM1A (0.35) MAOAMAOBCYP2C9LTB4RLTB4R2
SCHEMBL28596155 0.75 MAOA (0.34) MAOAMAOBLTB4RLTB4R2CYP19A1
SCHEMBL17185573 0.75 MAOA (0.34) MAOAMAOBLTB4RLTB4R2CYP19A1
SCHEMBL7022979 0.75 CYP19A1 (0.32) MAOAMAOBCYP19A1ATM
SCHEMBL3832884 0.72 P2RX4 (0.36) MAOAMAOBCYP2C9MEN1MAPT
SCHEMBL27353156 0.72 CA2 (0.37) CYP2C9ATMNISCH
SCHEMBL6505464 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO 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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH MAOA 257/4885MAOB 197/4885CYP2C9 1459/4885

“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.