SCHEMBL6031354

SCHEMBL6031354

O=C(O)/C=C(\C(=O)O)c1nc2n(c1Cl)CCc1ccccc1C21CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.51
HTR2A P28223 3/20 0.36
HTR2C P28335 2/20 0.32
DRD2 P14416 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL6031770 0.84 HRH1 (0.47) HRH1HTR2A
SCHEMBL6440586 0.75 HRH1 (0.66) HRH1HTR2AHTR2CDRD2SLC6A2
Fumaric Acid SCHEMBL7893815 0.75 HRH1 (0.65) HRH1HTR2AHTR2CDRD2SLC6A2
Fumaric Acid SCHEMBL6439646 0.75 HRH1 (0.65) HRH1HTR2AHTR2CDRD2SLC6A2
Hydrochloric Acid SCHEMBL6030979 0.73 HRH1 (0.65) HRH1HTR2AHTR2CDRD2SLC6A2
Vapitadine SCHEMBL6440903 0.68 HRH1 (1.00) HRH1HTR2AHTR2CDRD2SLC6A2
Vapitadine SCHEMBL29379463 0.68 HRH1 (1.00) HRH1HTR2AHTR2CDRD2SLC6A2
SCHEMBL6031358 0.67 HRH1 (0.50) HRH1HTR2AHTR2CHTR2BSIGMAR1
Vapitadine SCHEMBL3463472 0.67 HRH1 (1.00) HRH1HTR2AHTR2CDRD2SLC6A2
Fumaric Acid SCHEMBL6439581 0.67 HRH1 (0.59) HRH1HTR2AHTR2CDRD2SLC6A2

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 7 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
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.