SCHEMBL23864705

SCHEMBL23864705

Clc1cccc(N2CCCc3ccccc32)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
DRD3 P35462 5/20 0.47
ROCK1 Q13464 1/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45
DRD1 P21728 2/20 0.44
POLB P06746 1/20 0.44
HTR2A P28223 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ADRB1 P08588 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX7 Q99572 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD4 P21917 1/20 0.42
NOTUM Q6P988 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL15345494 0.90 DRD3 (0.50) DRD2DRD3ROCK1DRD1SIGMAR1
SCHEMBL6081885 0.77 MAPT (0.55) ROCK1SIGMAR1ADRB1SMN1; SMN2ALDH1A1
SCHEMBL11880068 0.75 ROCK1 (0.50) ROCK1JAK2JAK3PTK2SIGMAR1
SCHEMBL10621398 0.75 ROCK1 (0.54) ROCK1JAK2JAK3PTK2SIGMAR1
SCHEMBL8332339 0.75 ROCK1 (0.50) ROCK1JAK2JAK3PTK2HTR2A
SCHEMBL8332463 0.74 SLC6A2 (0.56) DRD2DRD3CYP2C9CYP2C19
SCHEMBL10857160 0.74 L3MBTL1 (0.44) ROCK1POLBSIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL29652020 0.74 GSK3B (0.50) ROCK1POLBSIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL8334755 0.73 MEN1 (0.46) ROCK1JAK2JAK3PTK2SIGMAR1
SCHEMBL23917713 0.73 SPR (0.49) ROCK1SIGMAR1SMN1; SMN2ALDH1A1L3MBTL1

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-20210408390-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME SFC CO., LTD. (KR) 2021-12-30 US disclosed
EP-3885350-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SFC Co., Ltd. (KR) 2021-09-29 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 (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-20210408390-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CLTB, CD79B, CYBA DRD2 103/4885DRD3 160/4885ROCK1 3282/4885

“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.