SCHEMBL7253274

SCHEMBL7253274

CC(N(C)C)n1ccc2ccc(N3CCOCC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NSD2 O96028 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
LGMN Q99538 1/20 0.38
TP53 P04637 4/20 0.38
MAPK1 P28482 3/20 0.38
ALOX15 P16050 2/20 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
SCHEMBL7253039 0.84 LGMN (0.39) MAPTALDH1A1LGMNPRKDC
SCHEMBL7253616 0.78 KHK (0.42)
SCHEMBL7253093 0.77 LRRK2 (0.41) MAPTKDM4EHTTSMN1; SMN2NSD2
SCHEMBL7527390 0.76 MAPT (0.48) MAPTKDM4EHTTSMN1; SMN2NSD2
SCHEMBL7988144 0.75 MAPT (0.42) MAPTKDM4EHTTSMN1; SMN2NSD2
SCHEMBL6742251 0.73 HTR6 (0.52) MAPTKDM4EHTTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8035283 0.73 HTR1D (0.32) LMNACYP1A2
SCHEMBL7253276 0.73 HTR1D (0.61) MAPTLMNAALDH1A1MAPK1USP2
SCHEMBL15362274 0.67 FAAH (0.54) MAPTKDM4EHTTSMN1; SMN2NSD2
SCHEMBL3815746 0.67 HTR2A (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 US claimed
US-6635639-B2 Treatment or diagnosis of central nervous system conditions NPS ALLELIX CORP. (CA) 2003-10-21 US disclosed
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 US disclosed
US-6380242-B1 FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS NPS ALLELIX CORP. (CA) 2002-04-30 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-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine CNR1, CNR2, KCNH1 MAPT 2895/4885KDM4E 918/4885HTT 1068/4885

“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.