SCHEMBL3522841

SCHEMBL3522841

Clc1ccc2c(c1)NCc1ccccc1N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.49
HTR5A P47898 6/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
NOX1 Q9Y5S8 1/20 0.45
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
AHR P35869 2/20 0.42
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD4 P21917 4/20 0.39
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR7 P34969 3/20 0.39
HTR2B P41595 3/20 0.39
HTR3A P46098 3/20 0.39
HTR1D P28221 2/20 0.39

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
SCHEMBL29532858 1.00 CHEK1 (0.49) CHEK1HTR5ABCHEACHENOX1
SCHEMBL19156605 0.88 AHR (0.47) CHEK1HTR5ABCHEACHENOX1
SCHEMBL310398 0.81 HTR5A (0.57) HTR5AHSD17B10ALOX15AHRGAA
SCHEMBL13826690 0.79 CHEK1 (0.69) CHEK1HTR5ABCHEACHENOX1
SCHEMBL11653636 0.77 AHR (0.37) CHEK1HTR5ABCHEACHENOX1
SCHEMBL14433054 0.77 AHR (0.59) CHEK1HTR5ABCHEACHENOX1
SCHEMBL14698807 0.77 MAPT (0.53) CHEK1HTR5ABCHEACHENOX1
SCHEMBL29485904 0.77 MAPT (0.62) CHEK1HTR5ABCHEACHENOX1
SCHEMBL6964275 0.77 MAPT (0.62) CHEK1HTR5ABCHEACHENOX1
SCHEMBL11538675 0.77 AHR (0.59) CHEK1HTR5ABCHEACHENOX1

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-7737136-B2 Non-steroidal progesterone receptor modulators N.V. ORGANON (NL) 2010-06-15 US disclosed
US-7737136-B2 Non-steroidal progesterone receptor modulators N.V. ORGANON (NL) 2010-06-15 US disclosed
US-7737136-B2 Non-steroidal progesterone receptor modulators N.V. ORGANON (NL) 2010-06-15 US disclosed
EP-1495030-B1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS ORGANON NV (NL) 2008-08-13 EP disclosed
US-20050171087-A1 Non-steroidal progesterone receptor modulators MERCK SHARP & DOHME B.V. (NL) 2005-08-04 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-20050171087-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 CHEK1 4678/4885HTR5A 419/4885BCHE 3670/4885

“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.