SCHEMBL4135531

SCHEMBL4135531

COc1ccc(F)cc1-c1ccc2c(c1)CCC(N1CCCC1C)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.42
PIN1 Q13526 2/20 0.41
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCNT1 O60563 4/20 0.37
CDK9 P50750 4/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ABL1 P00519 1/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 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
SCHEMBL4142012 0.89 PDK1 (0.43) S1PR1TSHRALDH1A1LMNAHRH3
SCHEMBL4139976 0.89 PDK1 (0.35) S1PR1TSHRALDH1A1CCNT1CDK9
SCHEMBL4135614 0.89 PDK1 (0.45) TSHRALDH1A1LMNANPSR1
SCHEMBL4140663 0.88 HTR2C (0.42) ALDH1A1SMN1; SMN2ABL1KCNH2
SCHEMBL4136693 0.87 MCHR1 (0.41) HRH3KCNH2MCHR1
SCHEMBL4141684 0.87 BACE1 (0.37) S1PR1HRH3KCNH2
SCHEMBL4139873 0.86 NAAA (0.46) ALDH1A1HRH3MCHR1
SCHEMBL4135590 0.86 OTUD7B (0.41) ALDH1A1SMN1; SMN2
SCHEMBL4136104 0.85 MCHR1 (0.36) HRH3KCNH2MCHR1
SCHEMBL4147732 0.85 ALDH1A1 (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP claimed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 S1PR1 643/4885PIN1 3975/4885TSHR 154/4885

“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.