SCHEMBL6029703

SCHEMBL6029703

NC(=O)c1cnc2n1CCc1ccccc1C21CCN(C(=O)O)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.77
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
RBP4 P02753 1/20 0.34
HPGDS O60760 1/20 0.34
OPRD1 P41143 3/20 0.33
OPRK1 P41145 2/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
TMPRSS2 O15393 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
HSD11B1 P28845 2/20 0.31
NPY5R Q15761 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6440008 0.89 HRH1 (0.80) HRH1HTR2AHTR2CHTR2BSIGMAR1
Water SCHEMBL6031226 0.88 HRH1 (0.78) HRH1HTR2AHTR2CHTR2BSIGMAR1
Vapitadine SCHEMBL6440903 0.87 HRH1 (1.00) HRH1HTR2AHTR2CHTR2BSIGMAR1
Vapitadine SCHEMBL29379463 0.87 HRH1 (1.00) HRH1HTR2AHTR2CHTR2BSIGMAR1
Vapitadine SCHEMBL3463472 0.86 HRH1 (1.00) HRH1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL6031708 0.85 HRH1 (0.71) HRH1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL6030027 0.85 HRH1 (0.56) HRH1OPRD1OPRK1NR1H2
SCHEMBL6031453 0.85 HRH1 (0.67) HRH1OPRD1OPRK1NR1H2TSHR
SCHEMBL6030546 0.84 HRH1 (0.72) HRH1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL6031742 0.79 HRH1 (0.56) HRH1HPGDSOPRD1OPRK1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148214-B1 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-12 US claimed
US-7087595-B2 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-08 US claimed
EP-1144411-B1 ANTIHISTAMINIC SPIRO COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2005-04-27 EP claimed
US-20050026901-A1 Antiallergens; vision disorders JANSSENS FRANS EDUARD (BE) 2005-02-03 US claimed
US-7148214-B1 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-12 US disclosed
US-7087595-B2 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-08 US disclosed
EP-1144411-B1 ANTIHISTAMINIC SPIRO COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2005-04-27 EP disclosed
US-20050026901-A1 Antiallergens; vision disorders JANSSENS FRANS EDUARD (BE) 2005-02-03 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-20050026901-A1 Antiallergens; vision disorders UACA, LTB4R, HLA-B HRH1 35/4885HTR2A 3106/4885HTR2C 4010/4885

“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.