SCHEMBL4391870

SCHEMBL4391870

COc1ccc2c(c1)c(CCN)c(Br)n2C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.49
PLA2G2A P14555 3/20 0.47
AKR1C3 P42330 5/20 0.45
AKR1C2 P52895 4/20 0.45
MTNR1A P48039 3/20 0.45
PTGS1 P23219 2/20 0.44
NQO2 P16083 2/20 0.44
MTNR1B P49286 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGS2 P35354 1/20 0.43
HTR6 P50406 2/20 0.43
HTR1D P28221 1/20 0.43

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
SCHEMBL9418449 0.85 MTNR1A (0.55) ADRB2PLA2G2AAKR1C3AKR1C2MTNR1A
SCHEMBL4393646 0.80 TAAR1 (0.47) PLA2G2AMTNR1AMTNR1BLMNATSHR
SCHEMBL4397542 0.75 MTNR1A (0.40) MTNR1ANQO2MTNR1BLMNACYP1A2
SCHEMBL1971963 0.74 MTNR1A (0.72) ADRB2AKR1C3AKR1C2MTNR1APTGS1
SCHEMBL17369615 0.72 PTGS1 (0.82) AKR1C3AKR1C2PTGS1LMNACYP1A2
SCHEMBL10876035 0.72 AKR1C3 (0.76) PLA2G2AAKR1C3AKR1C2PTGS1LMNA
SCHEMBL4385656 0.72 CA2 (0.35) CYP1A2TSHR
SCHEMBL8688610 0.71 MTNR1A (0.75) MTNR1ANQO2MTNR1BCYP1A2CYP2D6
SCHEMBL2701682 0.70 ADRB2 (0.56) ADRB2PLA2G2AMTNR1APTGS1NQO2
SCHEMBL2403262 0.69 HTR1D (0.65) AKR1C2MTNR1ANQO2MTNR1BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2009-01-01 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-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient ADRB2, ADRB1, ADRA2B ADRB2 1/4885PLA2G2A 1497/4885AKR1C3 535/4885

“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.