SCHEMBL5778903

SCHEMBL5778903

COC1CCN(Cc2ncnc3c2CCN(Cc2ccccc2)C3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
SCN9A Q15858 3/20 0.42
KCNH2 Q12809 2/20 0.42
SCN5A Q14524 2/20 0.42
ACHE P22303 2/20 0.42
LTA4H P09960 1/20 0.41
LIMK1 P53667 1/20 0.41
EHMT2 Q96KQ7 2/20 0.40
NSD2 O96028 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
ROCK1 Q13464 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
ROCK2 O75116 1/20 0.39
CCR2 P41597 1/20 0.39

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
SCHEMBL5772203 0.84 LIMK1 (0.46) C5AR1LIMK1MEN1KMT2AGAA
SCHEMBL5777690 0.83 HRH3 (0.47) LIMK1MEN1KMT2AGAA
SCHEMBL5776677 0.83 FAAH (0.45) C5AR1SCN9AKCNH2SCN5AACHE
SCHEMBL8096431 0.77 ACHE (0.66) ACHELTA4HMEN1KMT2ASMN1; SMN2
SCHEMBL6282660 0.77 PRMT5 (0.46) C5AR1KCNH2ACHELTA4HPRMT5
SCHEMBL4982399 0.77 C5AR1 (0.61) C5AR1ACHELIMK1MEN1KMT2A
SCHEMBL14111444 0.75 LIMK1 (0.49) C5AR1LIMK1MEN1KMT2AGAA
SCHEMBL4079977 0.75 LIMK1 (0.49) C5AR1ACHELIMK1MEN1KMT2A
Hydrochloric Acid SCHEMBL4982981 0.74 LIMK1 (0.48) C5AR1LIMK1MEN1KMT2ASMN1; SMN2
SCHEMBL5773572 0.74 MAP4K4 (0.36) LTA4H

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
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 C5AR1 1359/4885SCN9A 744/4885KCNH2 424/4885

“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.