SCHEMBL2792608

SCHEMBL2792608

NC1CC(=O)NCC1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.48
MAOA P21397 7/20 0.48
KDM1A O60341 7/20 0.48
CYP2C19 P33261 4/20 0.48
SLC6A3 Q01959 4/20 0.48
CYP2B6 P20813 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
LMNA P02545 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2A6 P11509 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 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
SCHEMBL2790840 0.75 SLC6A3 (0.41) SLC6A3LMNAPARP3
SCHEMBL28492624 0.73 SLC9A1 (0.42) KDM1ASLC6A3LMNAMAPTPARP3
SCHEMBL531338 0.73 MAPK1 (0.56) CYP2C19CYP1A2MAPTHPGD
SCHEMBL3150368 0.73 MAPK1 (0.56) CYP2C19CYP1A2MAPTHPGD
SCHEMBL3159001 0.73 MAPK1 (0.56) CYP2C19CYP1A2MAPTHPGD
SCHEMBL1947022 0.73 DDB1 (0.47) SLC6A3CYP1A2SLC6A2PARP3
SCHEMBL1947472 0.73 DDB1 (0.47) SLC6A3CYP1A2SLC6A2PARP3
SCHEMBL19985883 0.72 MCL1 (0.43) SLC6A3LMNAPARP3
SCHEMBL19972233 0.72 MCL1 (0.43) SLC6A3LMNAPARP3
Hydrochloric Acid SCHEMBL29540251 0.72 MAPK1 (0.55) CYP2C19CYP1A2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100163070-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBRES USING HEATING MEANS AND AN AMIDE L'OREAL S.A. (FR) 2010-07-01 US claimed
US-20190125051-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS L'OREAL (FR) 2019-05-02 US disclosed
US-10092490-B2 Method for straightening keratinous fibres using heating means and an amide L'OREAL (FR) 2018-10-09 US disclosed
US-20140326268-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS L'OREAL (FR) 2014-11-06 US disclosed
US-8765107-B2 Process for straightening keratin fibres with a heating means and denaturing agents L'OREAL (FR) 2014-07-01 US disclosed
US-20120192888-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS L 'Oréal S.A., (FR) 2012-08-02 US disclosed
US-20100163070-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBRES USING HEATING MEANS AND AN AMIDE L'OREAL S.A. (FR) 2010-07-01 US disclosed
US-20100028280-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS L'OREAL S.A. (FR) 2010-02-04 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 (4 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-20120192888-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS KRT18, KRTCAP2, TUBB4A MAOB 4119/4885MAOA 3446/4885KDM1A 1221/4885
US-20100028280-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS KRT18, KRTCAP2, TUBB4A MAOB 4119/4885MAOA 3446/4885KDM1A 1221/4885
US-20190125051-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS KRT18, KRTCAP2, TUBB4A MAOB 4119/4885MAOA 3446/4885KDM1A 1221/4885
US-10092490-B2 Method for straightening keratinous fibres using heating means and an amide KRT18, TUBB3, KIF5C MAOB 2506/4885MAOA 1757/4885KDM1A 1035/4885

“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.