SCHEMBL3827331

SCHEMBL3827331

O[C@H]1C[C@@H](N2CCNCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
HSD11B1 P28845 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL21920952 1.00 HTR6 (0.40) HTR6LMNACYP2C9HPGDKMT2A
SCHEMBL3827330 1.00 HTR6 (0.40) HTR6LMNACYP2C9HPGDKMT2A
Hydrochloric Acid SCHEMBL21852697 0.98 HPGD (0.39) HTR6LMNACYP2C9HPGDKMT2A
Hydrochloric Acid SCHEMBL20595109 0.98 HPGD (0.39) HTR6LMNACYP2C9HPGDKMT2A
Hydrochloric Acid SCHEMBL21852645 0.98 HPGD (0.39) HTR6LMNACYP2C9HPGDKMT2A
SCHEMBL7490294 0.89 HTR6 (0.36) HTR6HPGDKMT2ASMN1; SMN2
SCHEMBL24379445 0.84 LMNA (0.43) HTR6LMNACYP2C9HPGDKMT2A
SCHEMBL22692239 0.84 LMNA (0.43) HTR6LMNACYP2C9HPGDKMT2A
SCHEMBL7897450 0.78 HPGD (0.47) HTR6LMNACYP2C9HPGDKMT2A
SCHEMBL22834986 0.78 HPGD (0.47) HTR6LMNACYP2C9HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 US disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP 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 (3 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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 HTR6 1926/4885LMNA 3564/4885CYP2C9 2647/4885
US-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 HTR6 3973/4885LMNA 4024/4885CYP2C9 3504/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 HTR6 1926/4885LMNA 3564/4885CYP2C9 2647/4885

“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.