SCHEMBL12384362

SCHEMBL12384362

CC(C)(C)CC(=O)N1CCN(CCO)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 8/20 0.41
HPGD P15428 4/20 0.41
POLB P06746 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ACKR3 P25106 1/20 0.40
KDM4E B2RXH2 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
DUSP3 P51452 1/20 0.37

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
SCHEMBL22030327 0.89 ACKR3 (0.38) TSHRHSD11B1ALDH1A1ACKR3HTT
SCHEMBL6947154 0.86 TSHR (0.43) TSHRHSD11B1ALDH1A1HPGDPOLB
SCHEMBL15696985 0.85 ACKR3 (0.42) HSD11B1ALDH1A1POLBHSD17B10ACKR3
SCHEMBL23518518 0.84 ALDH1A1 (0.42) TSHRALDH1A1HPGDPOLBHSD17B10
SCHEMBL22030332 0.84 HTR1A (0.42) TSHRALDH1A1ACKR3KDM4ECYP2D6
SCHEMBL22030868 0.82 HSD17B10 (0.55) TSHRALDH1A1HSD17B10ALOX15KDM4E
SCHEMBL17943670 0.81 ALDH1A1 (0.39) TSHRHSD11B1ALDH1A1HPGDHSD17B10
SCHEMBL15696989 0.81 HSD11B1 (0.51) HSD11B1ALDH1A1ACKR3KDM4EKMT2A
SCHEMBL22030501 0.81 HSD11B1 (0.49) HSD11B1ALDH1A1POLBACKR3KDM4E
SCHEMBL24429246 0.81 HTR7 (0.39) ALDH1A1ACKR3

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 3 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
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 TSHR 1082/4885HSD11B1 291/4885ALDH1A1 1168/4885

“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.