SCHEMBL447356

SCHEMBL447356

OC1CCCN(C2CC(c3ccccc3)C2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.50
SIGMAR1 Q99720 2/20 0.50
LTA4H P09960 1/20 0.50
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
AGTR2 P50052 7/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL5007409 0.82 AKR1C3 (0.51) LTA4HCYP2D6CYP2C19TSHRALDH1A1
SCHEMBL447088 0.79 LTA4H (0.72) SLC18A3SIGMAR1LTA4HCYP2D6CYP2C19
SCHEMBL13660519 0.76 SLC18A3 (0.57) SLC18A3SIGMAR1LTA4HCYP2D6CYP2C19
SCHEMBL1587410 0.75 AKR1C3 (0.54) SLC18A3AGTR2
SCHEMBL27894548 0.73 CYP2D6 (0.65) SLC18A3CYP2D6CYP2C19SMN1; SMN2AGTR2
SCHEMBL5009505 0.71 ALDH1A1 (0.48) LTA4HSMN1; SMN2ALDH1A1AGTR2
SCHEMBL444560 0.70 AKR1C3 (0.56) SLC18A3SIGMAR1LTA4HCYP2D6CYP2C19
SCHEMBL5004640 0.70 ALDH1A1 (0.50) SLC18A3LTA4HTSHRSMN1; SMN2ALDH1A1
SCHEMBL6373468 0.70 CYP2D6 (0.59) SLC18A3CYP2D6CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL6627476 0.69 HRH3 (0.42) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 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 (2 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 SLC18A3 3846/4885SIGMAR1 190/4885LTA4H 2266/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 SLC18A3 3846/4885SIGMAR1 190/4885LTA4H 2266/4885

“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.