SCHEMBL17830829

SCHEMBL17830829

Cc1ccc(N(C)C(C)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 1/20 0.41
SRC P12931 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
KDM4C Q9H3R0 2/20 0.39
ALOX5 P09917 1/20 0.39
CHRNA7 P36544 1/20 0.39
NUDT1 P36639 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
ACHE P22303 1/20 0.39
MTOR P42345 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL31175221 0.87 SLC6A2 (0.47) SLC6A2SLC6A4TP53MAPTALDH1A1
SCHEMBL2232118 0.87 SLC6A2 (0.47) SLC6A2SLC6A4TP53MAPTALDH1A1
SCHEMBL17830830 0.81 S1PR1 (0.44) SLC6A2SLC6A4MAPTTSHRALDH1A1
SCHEMBL19008845 0.80 NR3C2 (0.41) SLC6A2SLC6A4ALDH1A1SMN1; SMN2HTR2A
SCHEMBL16373317 0.79 SLC6A2 (0.54) SLC6A2SLC6A4ALDH1A1SRCKDM4C
SCHEMBL11690693 0.79 SLC6A4 (0.54) SLC6A2SLC6A4TP53MAPTALDH1A1
SCHEMBL11701093 0.78 KDM4E (0.59) SLC6A2SLC6A4TP53MAPTALDH1A1
SCHEMBL5075640 0.77 KDM4E (0.52) SLC6A2SLC6A4KDM4CNUDT1KDM4E
SCHEMBL7937528 0.75 ALOX5 (0.44) TSHRALDH1A1CYP2C19SRCSMN1; SMN2
SCHEMBL13570273 0.74 CES1 (0.42) SLC6A2SLC6A4TP53MAPTTSHR

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-9650310-B2 Method for the methylation of nitrogen-containing organic compounds RHEINISCHE-WESTFÄLISCHE TECHNISCHE HOCHSCHULE (RWTH) AACHEN (DE) 2017-05-16 US disclosed
US-20160168043-A1 METHOD FOR THE METHYLATION OF NITROGEN-CONTAINING ORGANIC COMPOUNDS RHEINISCHE-WESTFÄLISCHE TECHNISCHE HOCHSCHULE (RWTH) AACHEN (DE) 2016-06-16 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-20160168043-A1 METHOD FOR THE METHYLATION OF NITROGEN-CONTAINING ORGANIC COMPOUNDS HNMT, PNMT, GNMT SLC6A2 383/4885SLC6A4 317/4885TP53 1266/4885

“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.