SCHEMBL6397498

SCHEMBL6397498

CC1=[N+](CCc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.47
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MC4R P32245 1/20 0.38
CCR3 P51677 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.36
ACHE P22303 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
Water SCHEMBL11786512 0.83 EEF2K (0.62) EEF2KKMT2APOLBMEN1LMNA
Hydrochloric Acid SCHEMBL11780574 0.83 EEF2K (0.62) EEF2KKMT2APOLBMEN1LMNA
Hydrochloric Acid SCHEMBL9715398 0.81 EEF2K (0.61) EEF2KKMT2APOLBMEN1LMNA
SCHEMBL1834262 0.77 POLB (0.44) EEF2KKMT2APOLBKDM4EMEN1
SCHEMBL28946773 0.66 POLB (0.50) KMT2APOLBMEN1LMNASIGMAR1
SCHEMBL4084447 0.64 LMNA (0.48) KMT2APOLBMEN1LMNASIGMAR1
SCHEMBL21049606 0.64 BRD4 (0.43) KMT2APOLBKDM4EMEN1LMNA
SCHEMBL16786536 0.63 SIGMAR1 (0.58) KMT2APOLBMEN1LMNASIGMAR1
Hydrochloric Acid SCHEMBL4081730 0.63 LMNA (0.47) KMT2APOLBKDM4EMEN1LMNA
SCHEMBL27883631 0.62 POLB (0.47) KMT2APOLBMEN1LMNASIGMAR1

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-6977246-B2 Certain dinucleotides and their use as modulators of mucociliary clearance and ciliary beat frequency INSPIRE PHARMACEUTICALS, INC. (US) 2005-12-20 US disclosed
US-20050272936-A1 Imidazolium cxcr3 inhibitors SMITHKLINE BEECHAM CORPORATION 2005-12-08 US disclosed
US-6348589-B1 INCREASE THE HYDRATION OF RETAINED MUCUS SECRETIONS, STIMULATE THE PRODUCTION OF MUCINS; TREATING CHRONIC BRONCHITIS, CYSTIC FIBROSIS AND PNEUMONIA INSPIRE PHARMACEUTICALS, INC. 2002-02-19 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-20050272936-A1 Imidazolium cxcr3 inhibitors CXCR3, CXCR1, CCR7 EEF2K 4542/4885KMT2A 4040/4885POLB 3275/4885

“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.