SCHEMBL7787336

SCHEMBL7787336

CN(C)CCCCOc1cccc(N)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
ALDH1A1 P00352 5/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP3A4 P08684 2/20 0.56
TP53 P04637 1/20 0.56
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 2/20 0.53
MAOB P27338 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
ESR1 P03372 1/20 0.47
HTR1B P28222 1/20 0.46

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
SCHEMBL188707 0.95 TSHR (0.63) TSHRALDH1A1MAPTKMT2ACYP3A4
SCHEMBL1641682 0.90 CHRNB2 (0.65) TSHRALDH1A1CYP3A4TP53KDM4E
Hydrochloric Acid SCHEMBL310652 0.88 CHRNB2 (0.63) TSHRALDH1A1CYP3A4TP53KDM4E
Hydrochloric Acid SCHEMBL309555 0.88 CHRNB2 (0.63) TSHRALDH1A1CYP3A4TP53KDM4E
SCHEMBL29437009 0.86 TSHR (0.79) TSHRALDH1A1CYP3A4TP53MAOB
SCHEMBL441825 0.86 TSHR (0.79) TSHRALDH1A1CYP3A4TP53MAOB
SCHEMBL18045584 0.84 TSHR (0.82) TSHRALDH1A1CYP3A4TP53MAOB
SCHEMBL18045565 0.84 TSHR (0.82) TSHRALDH1A1CYP3A4TP53MAOB
SCHEMBL5069212 0.84 TSHR (0.82) TSHRALDH1A1CYP3A4TP53MAOB
SCHEMBL18045545 0.84 TSHR (0.82) TSHRALDH1A1CYP3A4TP53MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. 2001-08-16 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-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, HNMT, CHRM3 TSHR 952/4885ALDH1A1 3285/4885MAPT 168/4885

“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.