SCHEMBL6101426

SCHEMBL6101426

Oc1cc2c(cc1O)C1(CCN(Cc3ccccc3)CC1)c1nccn1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.43
OPRD1 P41143 8/20 0.41
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
OPRK1 P41145 5/20 0.40
DRD2 P14416 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2B P41595 1/20 0.39
MTOR P42345 1/20 0.39
CHRM2 P08172 1/20 0.39
EGLN1 Q9GZT9 1/20 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
SCHEMBL6030987 0.86 SIGMAR1 (0.53) SIGMAR1OPRD1TP53CYP1A2CYP3A4
SCHEMBL6031879 0.79 SIGMAR1 (0.56) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6030586 0.78 SIGMAR1 (0.48) SIGMAR1OPRD1TP53CYP1A2CYP3A4
SCHEMBL6030048 0.71 SIGMAR1 (0.43) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6031884 0.70 SIGMAR1 (0.37) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL6031686 0.69 SIGMAR1 (0.55) SIGMAR1HTR2AHTR2CHTR2B
Isopropyl Alcohol SCHEMBL6101083 0.69 SIGMAR1 (0.39) SIGMAR1HTR2AHTR2CHTR2B
Iodide SCHEMBL6031820 0.69 SIGMAR1 (0.56) SIGMAR1OPRD1OPRK1HTR2AHTR2C
SCHEMBL6031058 0.68 SIGMAR1 (0.52) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL6030476 0.66 OPRL1 (0.58) OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SIGMAR1 383/4885OPRD1 1139/4885TP53 2289/4885

“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.