SCHEMBL18177839

SCHEMBL18177839

CC(C)(C)S(=O)(=O)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
RECQL P46063 1/20 0.74
ALDH1A1 P00352 4/20 0.61
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 3/20 0.60
ACHE P22303 2/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.49
HTR2A P28223 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
CHRM4 P08173 1/20 0.48

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
SCHEMBL21164685 0.91 SMN1; SMN2 (0.73) SMN1; SMN2RECQLALDH1A1KMT2AKDM4E
SCHEMBL12704764 0.86 SIGMAR1 (0.58) ALDH1A1POLBTSHR
SCHEMBL18181908 0.85 SMN1; SMN2 (1.00) SMN1; SMN2RECQLALDH1A1KMT2AKDM4E
SCHEMBL3709310 0.80 RECQL (0.70) SMN1; SMN2RECQLALDH1A1KDM4EACHE
SCHEMBL4064927 0.80 SMN1; SMN2 (0.63) SMN1; SMN2RECQLALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL3706762 0.79 RECQL (0.68) SMN1; SMN2RECQLALDH1A1KDM4EACHE
SCHEMBL3956954 0.78 MC4R (0.69) SMN1; SMN2RECQLALDH1A1KDM4EACHE
SCHEMBL3961457 0.76 SMN1; SMN2 (0.66) SMN1; SMN2RECQLALDH1A1KMT2AKDM4E
SCHEMBL25968011 0.76 ACHE (0.73) SMN1; SMN2RECQLALDH1A1KDM4EACHE
SCHEMBL24163317 0.76 RECQL (0.69) SMN1; SMN2RECQLALDH1A1KMT2AKDM4E

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-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 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 (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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 SMN1; SMN2 4517/4885RECQL 2066/4885ALDH1A1 1121/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 SMN1; SMN2 4517/4885RECQL 2066/4885ALDH1A1 1121/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 SMN1; SMN2 4517/4885RECQL 2066/4885ALDH1A1 1121/4885

“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.