SCHEMBL524817

SCHEMBL524817

CN(C)CCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.65
CAMKK2 Q96RR4 1/20 0.65
ALDH1A1 P00352 2/20 0.62
TSHR P16473 2/20 0.62
TAAR1 Q96RJ0 2/20 0.58
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
AOC3 Q16853 1/20 0.52
HTR2A P28223 2/20 0.51
SLC6A4 P31645 2/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD1 P21728 1/20 0.51
SLC6A2 P23975 1/20 0.51
ADRA1A P35348 1/20 0.51
HRH1 P35367 1/20 0.51
OPRK1 P41145 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL18157879 0.95 CALM1 (0.65) CALM1CAMKK2ALDH1A1TSHRTAAR1
SCHEMBL10039144 0.90 CALM1 (0.56) CALM1CAMKK2ALDH1A1TSHRTAAR1
SCHEMBL525423 0.90 TSHR (0.56) CALM1CAMKK2ALDH1A1TSHRTAAR1
SCHEMBL10039141 0.89 CALM1 (0.55) CALM1CAMKK2ALDH1A1TSHRTAAR1
SCHEMBL4821913 0.89 CALM1 (0.55) CALM1CAMKK2ALDH1A1TSHRTAAR1
SCHEMBL4081568 0.88 HTT (0.55) CALM1CAMKK2ALDH1A1TSHRAOC3
SCHEMBL21872330 0.88 CALM1 (0.54) CALM1CAMKK2ALDH1A1TSHRTAAR1
SCHEMBL21872331 0.88 CALM1 (0.54) CALM1CAMKK2ALDH1A1TSHRTAAR1
SCHEMBL6598521 0.88 CALM1 (0.54) CALM1CAMKK2ALDH1A1TSHRTAAR1
SCHEMBL13962686 0.88 CALM1 (0.58) CALM1CAMKK2ALDH1A1TSHRTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104086511-B Double-reaction-active-group double-cationic-group cation modifier, and preparation method and application thereof 广东溢达纺织有限公司 2017-02-15 CN disclosed
EP-2598111-B1 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED DIAMINES UNILEVER PLC (GB) 2015-03-25 EP disclosed
EP-2598111-B1 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED DIAMINES UNILEVER PLC (GB) 2015-03-25 EP disclosed
CN-104086511-A Double-reaction-active-group double-cationic-group cation modifier, and preparation method and application thereof GUANGDONG ESQUEL TEXTILES CO 2014-10-08 CN disclosed
US-8476251-B2 Skin care compositions comprising substituted diamines CONOPCO, INC. (US) 2013-07-02 US disclosed
US-8476251-B2 Skin care compositions comprising substituted diamines CONOPCO, INC. (US) 2013-07-02 US disclosed
US-8476251-B2 Skin care compositions comprising substituted diamines CONOPCO, INC. (US) 2013-07-02 US disclosed
US-20120027700-A1 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED DIAMINES CONOPCO, INC., D/B/A UNILEVER (US) 2012-02-02 US disclosed
US-20120027700-A1 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED DIAMINES CONOPCO, INC., D/B/A UNILEVER (US) 2012-02-02 US disclosed
US-20120027700-A1 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED DIAMINES CONOPCO, INC., D/B/A UNILEVER (US) 2012-02-02 US disclosed
WO-1996037535-A1 METHOD OF PREPARING POLY(PHENYLENE OXIDES) IN CARBON DIOXIDE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-28 WO 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-20120027700-A1 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED DIAMINES CUTA, TYR, DSG1 CALM1 3930/4885CAMKK2 4844/4885ALDH1A1 885/4885

“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.