SCHEMBL1133053

SCHEMBL1133053

CNCCNC(C)(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
ATM Q13315 1/20 0.43
KCNN4 O15554 2/20 0.42
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
HTR1B P28222 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIF11 P52732 1/20 0.39
HTR1D P28221 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
DPP4 P27487 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
OPRM1 P35372 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
SCHEMBL5675883 0.81 KIF11 (0.61) TAAR1ATMKCNN4HTR2AHRH1
SCHEMBL6891739 0.81 KCNN4 (0.48) TAAR1KCNN4KMT2AHTTL3MBTL1
SCHEMBL20357562 0.79 KIF11 (0.64) TAAR1KCNN4KIF11DPP4
SCHEMBL2346951 0.79 KCNN4 (0.47) TAAR1KCNN4MEN1KMT2AKDM4E
SCHEMBL6231282 0.78 ATM (0.52) TAAR1ATMMEN1KMT2AALDH1A1
SCHEMBL11922815 0.78 KCNN4 (0.45) TAAR1KCNN4ALDH1A1HTTL3MBTL1
SCHEMBL27949572 0.76 SMN1; SMN2 (0.46) TAAR1KCNN4HTR2AHRH1KMT2A
Bromide SCHEMBL28991574 0.76 KCNN4 (0.44) TAAR1KCNN4ALDH1A1HTTL3MBTL1
SCHEMBL469181 0.76 KCNN4 (0.64) TAAR1KCNN4ALDH1A1KIF11DPP4
SCHEMBL3170588 0.75 NAAA (0.45) KCNN4ALDH1A1HTTSIGMAR1

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-8299035-B2 10a-azalide compound having 4-membered ring structure TAISHO PHARMACEUTUCAL CO., LTD. (JP) 2012-10-30 US disclosed
US-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
EP-2287173-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 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 (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-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE ELOVL3, ELOVL5, SCD5 TAAR1 3583/4885ATM 4860/4885KCNN4 205/4885

“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.