SCHEMBL6740352

SCHEMBL6740352

Nc1cc([C@@H](O)CN(CCOc2ccc3c(c2)[nH]c2ccccc23)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.44
CTSL P07711 4/20 0.44
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HCRTR2 O43614 3/20 0.37
MAOB P27338 1/20 0.35
MAOA P21397 1/20 0.35
NR1H3 Q13133 3/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL6744573 1.00 CTSV (0.44) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6743283 0.89 CTSV (0.39) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6744206 0.89 CTSV (0.39) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6742339 0.88 ATM (0.40) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6740556 0.88 ATM (0.40) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6742341 0.86 CTSV (0.43) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6742105 0.86 CTSV (0.43) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6744765 0.86 NR1H3 (0.41) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6746794 0.86 NR1H3 (0.41) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL7250691 0.82 CTSV (0.46) CTSVCTSLGABRA1GABRG2GABRB3

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-6696573-B1 SYNTHESIS OF SUCH AS 2-(N-(2-(9H-CARBAZOL-2-YLOXY)ETHYL))-AMINO-1-((3 -METHYLSULFONYLAMINO)PHENYL)ETHANOL WITH ENHANCED OPTICAL PURITY ASAHI KASEI KABUSHIKI KAISHA (JP) 2004-02-24 US disclosed
US-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-12-04 US disclosed
EP-1209150-A1 PROCESSES FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-05-29 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-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ADH1A, ADH1C, OXER1 CTSV 3565/4885CTSL 2274/4885GABRA1 1360/4885

“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.