SCHEMBL6031708

SCHEMBL6031708

NC(=O)c1cnc2n1CCc1ccccc1C21CCN(Cc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.71
SIGMAR1 Q99720 11/20 0.47
TSHR P16473 3/20 0.47
CYP2D6 P10635 3/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
DRD2 P14416 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
MTOR P42345 1/20 0.46
MEN1 O00255 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45

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
SCHEMBL6030546 0.87 HRH1 (0.72) HRH1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6029703 0.85 HRH1 (0.77) HRH1SIGMAR1TSHRCYP2D6HTR2A
SCHEMBL6440008 0.85 HRH1 (0.80) HRH1SIGMAR1HTR2AHTR2CHTR2B
Water SCHEMBL6031226 0.84 HRH1 (0.78) HRH1SIGMAR1ALDH1A1HTR2AHTR2C
SCHEMBL6031058 0.84 SIGMAR1 (0.52) HRH1SIGMAR1TSHRCYP2D6TP53
SCHEMBL6031874 0.83 SIGMAR1 (0.49) HRH1SIGMAR1TSHRCYP2D6TP53
Vapitadine SCHEMBL29379463 0.83 HRH1 (1.00) HRH1SIGMAR1HTR2AHTR2CHTR2B
Vapitadine SCHEMBL6440903 0.83 HRH1 (1.00) HRH1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6029691 0.82 SIGMAR1 (0.48) HRH1SIGMAR1TSHRCYP2D6TP53
Vapitadine SCHEMBL3463472 0.82 HRH1 (1.00) HRH1SIGMAR1HTR2AHTR2CHTR2B

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 6 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 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
EP-1144411-A1 ANTIHISTAMINIC SPIRO COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2001-10-17 EP disclosed
WO-2000037470-A1 ANTIHISTAMINIC SPIRO COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2000-06-29 WO 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 35/4885SIGMAR1 383/4885TSHR 4315/4885

“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.