SCHEMBL19257742

SCHEMBL19257742

CN(C)c1ccc(C(N)Cc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC6A2 P23975 3/20 0.47
TAAR1 Q96RJ0 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
MAOA P21397 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.46
EPHX1 P07099 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
CHKA P35790 2/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL3451169 0.80 EPHX1 (0.61) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1
SCHEMBL272604 0.80 EPHX1 (0.61) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1
SCHEMBL468022 0.80 EPHX1 (0.61) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1
SCHEMBL5981801 0.80 RAB9A (0.54) CNR2ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL3282010 0.79 SLC6A2 (0.52) CNR2CYP2D6CYP1A2CYP2C19SLC6A2
Hydrochloric Acid SCHEMBL28839661 0.78 EPHX1 (0.58) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1
Hydrochloric Acid SCHEMBL27276749 0.78 EPHX1 (0.58) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1
SCHEMBL9323047 0.77 EPHX1 (0.52) CNR2CYP2D6CYP1A2CYP2C19SLC6A2
SCHEMBL17463566 0.77 EPHX1 (0.52) CNR2CYP2D6CYP1A2CYP2C19SLC6A2
SCHEMBL19257741 0.76 SLC6A3 (0.50) CNR2CYP2D6CYP2C19TAAR1SLC6A3

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-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 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-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 CNR2 4694/4885CYP2D6 4517/4885CYP1A2 4875/4885

“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.