SCHEMBL5394010

SCHEMBL5394010

O=C(CCc1cccnc1)NCCCCC1CCN(Cc2ccccc2C2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ACHE P22303 4/20 0.44
BCHE P06276 3/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CXCR4 P61073 1/20 0.43
CHRM4 P08173 1/20 0.43
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PTAFR P25105 1/20 0.41

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
SCHEMBL83006 0.86 ACHE (0.57) LMNAACHEBCHEMAOAMAOB
SCHEMBL3079290 0.84 CHRM4 (0.47) LMNAACHEBCHEMAOAMAOB
SCHEMBL83179 0.81 NAMPT (0.63) ACHEBCHEMAOAMAOBNAMPT
SCHEMBL87991 0.80 LMNA (0.49) LMNAMEN1RAB9AKMT2ANAMPT
SCHEMBL82572 0.80 ACHE (0.65) ACHEBCHEMAOAMAOBCHRM4
SCHEMBL81910 0.78 PTAFR (0.50) LMNAMEN1RAB9AKMT2ANAMPT
SCHEMBL82565 0.78 LMNA (0.52) LMNANAMPTALDH1A1PTAFR
SCHEMBL82430 0.78 PTAFR (0.49) LMNAMEN1RAB9AKMT2ANAMPT
SCHEMBL81394 0.78 PTAFR (0.49) LMNAMEN1RAB9AKMT2ANAMPT
SCHEMBL5557428 0.78 DRD2 (0.48) LMNAALDH1A1PTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US disclosed
US-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives KLINGE PHARMA GMBH 2004-09-09 US disclosed
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives KLINGE PHARMA GMBH 2003-08-28 US disclosed
EP-0934309-B1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-11 EP disclosed
US-6444823-B1 ANTITUMOR AGENTS; IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION KLINGE PHARMA GMBH (DE) 2002-09-03 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-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives ALK, ANXA1, ANXA11 LMNA 4352/4885ACHE 4538/4885BCHE 4003/4885
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives ALK, TYMP, ANXA1 LMNA 4311/4885ACHE 4259/4885BCHE 3493/4885

“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.