SCHEMBL2215851

SCHEMBL2215851

[CH2]C(Oc1ccc(Cl)cc1)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.41
HPGD P15428 3/20 0.41
LIPE Q05469 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LTA4H P09960 1/20 0.38
PTGS2 P35354 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL6731066 0.79 SIGMAR1 (0.43) HRH3HPGDLIPERAB9APOLB
SCHEMBL7501330 0.75 LTA4H (0.45) HRH3ALDH1A1LTA4HPTGS2KMT2A
SCHEMBL325608 0.74 SIGMAR1 (0.42) HRH3LIPEPOLBLTA4HPTGS2
SCHEMBL9534090 0.72 CYP2D6 (0.43) HRH3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7502501 0.71 LTA4H (0.50) HRH3RAB9AMAPTALDH1A1KDM4E
SCHEMBL7500095 0.69 HPGD (0.50) HPGDRAB9AMAPTALDH1A1KDM4E
SCHEMBL11083943 0.68 KMT2A (0.46) HPGDLIPERAB9APOLBMAPT
SCHEMBL1002275 0.68 HTR7 (0.42) HRH3POLBLTA4HPTGS2KMT2A
SCHEMBL992649 0.68 HRH3 (0.40) HRH3SIGMAR1TP53
SCHEMBL1002277 0.68 HTR7 (0.42) HRH3POLBLTA4HPTGS2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178079-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS TAKTIX CORPORATION 2011-07-21 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 (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-20110178079-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS CACNA1E, GRIA4, GRIA3 HRH3 440/4885HPGD 2197/4885LIPE 4809/4885

“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.