SCHEMBL378357

SCHEMBL378357

O=C(NCCCCN1CCCC1)n1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.51
FPR2 P25090 1/20 0.51
CHRNA7 P36544 2/20 0.46
PHF13 Q86YI8 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR3A P46098 2/20 0.43
RAD52 P43351 1/20 0.41
DRD3 P35462 2/20 0.41
DRD2 P14416 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR4 Q13639 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL4369989 0.89 CA12 (0.45) FPR3FPR2NAMPT
SCHEMBL24001121 0.79 CNR1 (0.45) HTR4NAMPT
SCHEMBL13519379 0.78 L3MBTL1 (0.39) L3MBTL1
SCHEMBL30880341 0.78 NAAA (0.45) NAMPT
SCHEMBL2851679 0.77 NAAA (0.48) NAMPT
SCHEMBL10057549 0.77 NAAA (0.48) NAMPT
SCHEMBL10421135 0.77 PAOX (0.43) L3MBTL1
SCHEMBL7557165 0.77 NAAA (0.48) NAMPT
SCHEMBL31348210 0.76 DRD2 (0.69) DRD3DRD2
SCHEMBL8845095 0.76 DRD2 (0.69) DRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371298-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. (US) 2016-06-21 US disclosed
US-9371298-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. (US) 2016-06-21 US disclosed
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2015-03-05 US disclosed
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2015-03-05 US disclosed
US-8884025-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. 2014-11-11 US disclosed
US-8884025-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. 2014-11-11 US disclosed
EP-1784183-B1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER (US) 2012-01-25 EP disclosed
EP-1784183-B1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER (US) 2012-01-25 EP disclosed
US-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2009-01-22 US disclosed
US-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2009-01-22 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-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES CYP3A4, CYP3A43, CYP2F1 FPR3 3727/4885FPR2 4615/4885CHRNA7 3598/4885
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES CYP3A4, CYP3A43, CYP2F1 FPR3 3740/4885FPR2 4712/4885CHRNA7 3642/4885

“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.