SCHEMBL12424743

SCHEMBL12424743

C[C@@H]1CCCN(CC(=O)c2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
LMNA P02545 2/20 0.66
AGTR1 P30556 1/20 0.66
KMT2A Q03164 5/20 0.59
HPGD P15428 4/20 0.55
MAPT P10636 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL12922352 0.86 ALDH1A1 (0.67) ALDH1A1LMNAAGTR1KMT2AHPGD
SCHEMBL27406305 0.84 ALDH1A1 (0.59) ALDH1A1LMNAAGTR1KMT2AHPGD
SCHEMBL12790929 0.82 ALDH1A1 (0.50) ALDH1A1LMNAAGTR1KMT2AMEN1
SCHEMBL12384542 0.82 ALDH1A1 (0.47) ALDH1A1LMNAAGTR1KMT2AMEN1
SCHEMBL12859265 0.81 KMT2A (0.64) ALDH1A1LMNAKMT2AMAPTTP53
SCHEMBL8735354 0.80 ALDH1A1 (0.48) ALDH1A1LMNAAGTR1KMT2AMEN1
SCHEMBL8247021 0.80 KMT2A (0.62) ALDH1A1LMNAKMT2ACYP3A4CYP2C19
SCHEMBL18419027 0.80 KMT2A (0.47) ALDH1A1LMNAAGTR1KMT2AMEN1
SCHEMBL25674596 0.79 ALDH1A1 (0.47) ALDH1A1LMNAAGTR1KMT2ACYP2C19
SCHEMBL9381303 0.79 ALDH1A1 (0.69) ALDH1A1KMT2AMAPTCYP3A4CYP2C19

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 ALDH1A1 1168/4885LMNA 1043/4885AGTR1 1489/4885

“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.