SCHEMBL10039142

SCHEMBL10039142

CN(C)CCN(Cc1ccc(F)cc1)Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.61
PYCR1 P32322 2/20 0.47
AOC3 Q16853 1/20 0.47
CALM1 P0DP23 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MCHR1 Q99705 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HTT P42858 1/20 0.41
RIPK1 Q13546 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL10039141 0.93 CALM1 (0.55) TAAR1CALM1CAMKK2ALDH1A1HTT
SCHEMBL13889677 0.83 TAAR1 (0.61) TAAR1PYCR1AOC3ALDH1A1MCHR1
SCHEMBL13005722 0.81 CALM1 (0.48) TAAR1PYCR1AOC3CALM1CAMKK2
SCHEMBL8289786 0.80 HRH3 (0.64) TAAR1PYCR1AOC3ALDH1A1MCHR1
SCHEMBL524817 0.78 CALM1 (0.65) TAAR1AOC3CALM1CAMKK2ALDH1A1
SCHEMBL14350168 0.77 TAAR1 (0.53) TAAR1PYCR1AOC3ALDH1A1MCHR1
SCHEMBL14640185 0.77 HRH3 (0.69) TAAR1PYCR1ALDH1A1MCHR1HRH3
SCHEMBL10039133 0.76 CALM1 (0.62) PYCR1AOC3CALM1CAMKK2ALDH1A1
SCHEMBL3052863 0.76 TAAR1 (1.00) TAAR1AOC3MCHR1HRH3
SCHEMBL3191532 0.75 PYCR1 (0.67) TAAR1PYCR1AOC3ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598111-B1 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED DIAMINES UNILEVER PLC (GB) 2015-03-25 EP 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

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 TAAR1 2784/4885PYCR1 3078/4885AOC3 203/4885

“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.