SCHEMBL1985494

SCHEMBL1985494

Nc1ccc(Br)cc1OCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
SLC6A4 P31645 3/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
HTR6 P50406 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD3 P35462 1/20 0.39
CCR5 P51681 2/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
MAOB P27338 1/20 0.36
GBA1 P04062 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
HCRTR2 O43614 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL1987646 0.86 LMNA (0.54) LMNAHTR6CCR5HTR1DHTR1B
SCHEMBL3665876 0.81 LMNA (0.49) LMNACCR5HTR1DHTR1BSMN1; SMN2
SCHEMBL1584529 0.77 SLC6A4 (0.54) SLC6A4CCR5SMN1; SMN2MAOBHTT
SCHEMBL1988447 0.76 ROCK2 (0.55) LMNASLC6A4DRD2DRD1DRD3
SCHEMBL3711719 0.75 ROCK2 (0.67)
SCHEMBL12693234 0.72 KDM4E (0.45) CCR5HTR1BSMN1; SMN2KDM4EMEN1
SCHEMBL9112270 0.70 LTA4H (0.57) LMNASMN1; SMN2MAOBKDM4EHTT
SCHEMBL15508180 0.69 KDM4E (0.42) SLC6A4KDM4EMEN1KMT2A
SCHEMBL29182669 0.69 KDM4E (0.46) LMNAKDM4E
SCHEMBL1911365 0.68 KDM4E (0.43) LMNASLC6A4SMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
EP-2234618-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS The Scripps Research Institute (US) 2010-10-06 EP disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 LMNA 2482/4885SLC6A4 4432/4885HTR2C 3665/4885

“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.