SCHEMBL11875345

SCHEMBL11875345

O=C1CC2(CCCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.98
ALDH1A1 P00352 2/20 0.98
DRD2 P14416 2/20 0.98
HTR2A P28223 2/20 0.98
SLC22A2 O15244 1/20 0.98
ABCB11 O95342 1/20 0.98
CYP1A2 P05177 1/20 0.98
CYP3A4 P08684 1/20 0.98
CYP2D6 P10635 1/20 0.98
CYP2C9 P11712 1/20 0.98
ADRA2C P18825 1/20 0.98
CNR1 P21554 1/20 0.98
ADRA1D P25100 1/20 0.98
HTR2C P28335 1/20 0.98
HTR7 P34969 1/20 0.98
ADRA1A P35348 1/20 0.98
HRH1 P35367 1/20 0.98
ADRA1B P35368 1/20 0.98
DRD3 P35462 1/20 0.98
HTR2B P41595 1/20 0.98

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 SCHEMBL11880141 0.99 ALDH1A1 (0.98) HTR1AALDH1A1DRD2HTR2ASLC22A2
Buspirone SCHEMBL16398 0.99 HTR1A (1.00) HTR1AALDH1A1DRD2HTR2ASLC22A2
Buspirone SCHEMBL17004050 0.99 HTR1A (1.00) HTR1AALDH1A1DRD2HTR2ASLC22A2
Buspirone SCHEMBL41495 0.98 ALDH1A1 (1.00) HTR1AALDH1A1DRD2HTR2ASLC22A2
SCHEMBL11875965 0.98 HTR1A (0.98) HTR1AALDH1A1DRD2HTR2ASLC22A2
Buspirone SCHEMBL41496 0.98 HTR1A (0.98) HTR1AALDH1A1DRD2HTR2ASLC22A2
Buspirone SCHEMBL10441318 0.98 ALDH1A1 (1.00) HTR1AALDH1A1DRD2HTR2ASLC22A2
Hydrochloric Acid SCHEMBL11878911 0.96 ALDH1A1 (0.98) HTR1AALDH1A1DRD2HTR2ASLC22A2
SCHEMBL11881209 0.96 HTR1A (0.95) HTR1AALDH1A1DRD2HTR2ASLC22A2
Hydrochloric Acid SCHEMBL11877578 0.95 ALDH1A1 (0.95) HTR1AALDH1A1DRD2HTR2ASLC22A2

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-3976776-A Tranquilizer process employing N-(heteroarcyclic)piperazinylalkylazaspiroalkanediones MEAD JOHNSON & COMPANY (US) 1976-08-24 US claimed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HTR1A 7/4885ALDH1A1 2581/4885DRD2 242/4885

“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.