SCHEMBL6311678

SCHEMBL6311678

CCCCOC(=O)C12CNCC1CCCN2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 2/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD1 P21728 1/20 0.32
HRH2 P25021 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SCN1A P35498 1/20 0.32

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
SCHEMBL3798218 0.76 LMNA (0.44) ALDH1A1CYP3A4ABCB11LMNACYP1A2
SCHEMBL17674468 0.68 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL2327411 0.67 ALDH1A1 (0.38) ALDH1A1LMNACYP1A2CYP2D6TSHR
SCHEMBL4703942 0.67 ALDH1A1 (0.33) ALDH1A1ATM
SCHEMBL1025912 0.66 ALDH1A1 (0.40) ALDH1A1LMNACYP1A2CYP2D6TSHR
SCHEMBL1025910 0.66 ALDH1A1 (0.40) ALDH1A1LMNACYP1A2CYP2D6TSHR
SCHEMBL6050362 0.65 SLC6A1 (0.47) ALDH1A1LMNACYP2D6TSHRHSD17B10
SCHEMBL27995350 0.65 SMN1; SMN2 (0.37) ALDH1A1LMNATSHRHSD17B10ATM
SCHEMBL28231627 0.65 ALDH1A1 (0.45) ALDH1A1LMNACYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL15153335 0.64 KMT2A (0.38) ALDH1A1CYP3A4ABCB11LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 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-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 ALDH1A1 2550/4885CYP3A4 291/4885ABCB11 1085/4885

“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.