SCHEMBL6031086

SCHEMBL6031086

c1ccc2c(c1)CCn1ccnc1C21CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.54
HTR2A P28223 4/20 0.49
HTR2C P28335 2/20 0.42
DRD2 P14416 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
TSHR P16473 3/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35

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
Hydrochloric Acid SCHEMBL6030477 0.99 HRH1 (0.55) HRH1HTR2AHTR2CDRD2SLC6A2
SCHEMBL7895228 0.82 OPRD1 (0.47) HRH1ALDH1A1HSD17B10CYP3A4CYP2D6
SCHEMBL6030048 0.80 SIGMAR1 (0.43) HRH1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL6030987 0.79 SIGMAR1 (0.53) HTR2AHTR2CDRD2HTR2BALDH1A1
SCHEMBL6031884 0.78 SIGMAR1 (0.37) HRH1HTR2AHTR2CDRD2HTR2B
SCHEMBL6031686 0.77 SIGMAR1 (0.55) HTR2AHTR2CHTR2BSIGMAR1
Isopropyl Alcohol SCHEMBL6101083 0.75 SIGMAR1 (0.39) HRH1HTR2AHTR2CHTR2BSIGMAR1
Iodide SCHEMBL6031820 0.75 SIGMAR1 (0.56) HRH1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL6030839 0.74 HRH1 (0.37) HRH1HTR2AHTR2CDRD2SLC6A2
Hydrochloric Acid SCHEMBL6100154 0.74 SIGMAR1 (0.38) HRH1HTR2AHTR2CHTR2BSIGMAR1

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-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-0843679-B1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-(FUSED IMIDAZOLE)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2001-11-07 EP disclosed
US-6251894-B1 SUBSTANCE P ANTAGONISTS JANSSEN PHARMACEUTICALS N.V. (BE) 2001-06-26 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.