SCHEMBL2850095

SCHEMBL2850095

c1ccc(-c2cc(-c3ccccc3)n(C3CCNCC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.54
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
FABP3 P05413 3/20 0.45
FABP4 P15090 3/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2854232 0.84 DRD2 (0.62) NSD3CHRNB2CHRNA4HTR2AHTR2C
SCHEMBL13135667 0.81 DRD2 (0.52) NSD3FABP3FABP4DRD2DRD4
SCHEMBL27618892 0.81 FYN (0.42) NSD3HTR2AHTR2CHTR2B
SCHEMBL27637823 0.80 FYN (0.46) NSD3
SCHEMBL4503250 0.72 PLAUR (0.55) NSD3CHRNB2CHRNA4HTR2AHTR2C
SCHEMBL27217163 0.71 DRD4 (0.48) NSD3HTR2AHTR2CHTR2BFABP3
SCHEMBL2852538 0.71 USP2 (0.53) FABP3FABP4DRD2DRD4DRD3
SCHEMBL1581846 0.71 DRD2 (0.60) NSD3CHRNB2CHRNA4DRD2DRD4
SCHEMBL10040497 0.71 CHRNB2 (0.48) NSD3CHRNB2CHRNA4HTR2AHTR2C
Hydrochloric Acid SCHEMBL16986298 0.70 DRD2 (0.59) NSD3CHRNB2CHRNA4DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002265-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF THE WNT SIGNALLING PATHWAY Université de Lausanne (CH) 2021-01-07 US disclosed
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 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 (3 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-20210002265-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF THE WNT SIGNALLING PATHWAY WNT1, WNT3A, WNT3 NSD3 1951/4885CHRNB2 3568/4885CHRNA4 4265/4885
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 NSD3 655/4885CHRNB2 4719/4885CHRNA4 3218/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 NSD3 690/4885CHRNB2 4699/4885CHRNA4 3171/4885

“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.