SCHEMBL6181879

SCHEMBL6181879

O=C(N[C@H]1C[C@@H](C2CC2)Nc2ccc(C(F)(F)F)cc21)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.44
MGLL Q99685 1/20 0.42
KCNQ2 O43526 1/20 0.41
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
CCR2 P41597 2/20 0.40
CCR3 P51677 1/20 0.40
NAAA Q02083 3/20 0.39
TSHR P16473 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
CPB1 P15086 1/20 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
SCHEMBL6181885 1.00 TACR1 (0.44) TACR1MGLLKCNQ2KIF11ALDH1A1
SCHEMBL6181877 1.00 TACR1 (0.44) TACR1MGLLKCNQ2KIF11ALDH1A1
SCHEMBL8060971 0.87 KCNQ2 (0.46) TACR1MGLLKCNQ2KIF11CCR2
SCHEMBL8060977 0.87 KCNQ2 (0.46) TACR1MGLLKCNQ2KIF11CCR2
SCHEMBL8060970 0.87 KCNQ2 (0.46) TACR1MGLLKCNQ2KIF11CCR2
SCHEMBL5474181 0.85 TACR1 (0.41) TACR1MGLLKCNQ2KIF11ALDH1A1
SCHEMBL14597712 0.85 TACR1 (0.41) TACR1MGLLKCNQ2KIF11ALDH1A1
SCHEMBL1176583 0.85 TACR1 (0.42) TACR1MGLLKCNQ2KIF11CCR2
SCHEMBL1176585 0.85 TACR1 (0.42) TACR1MGLLKCNQ2KIF11CCR2
SCHEMBL2706185 0.85 TACR1 (0.42) TACR1MGLLKCNQ2KIF11CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1607389-A1 4-protected-amino-2-substituted-1,2,3,4-tetrahydroquinolines as intermediates for CETP inhibitors Pfizer Products Inc. (US) 2005-12-21 EP disclosed
US-20050245570-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines DENINNO MICHAEL P 2005-11-03 US disclosed
EP-1114031-B1 4-CARBOXYAMINO-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-6906082-B2 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines PFIZER INC. (US) 2005-06-14 US disclosed
US-20040092550-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines PFIZER INC. 2004-05-13 US disclosed
US-6586448-B1 Cholesteryl ester transfer protein inhibitors used as antilipemic agents for prophylaxis of cardiovascular disorders PFIZER INC. 2003-07-01 US disclosed
US-6197786-B1 ANTICHOLESTEROL AGENTS PFIZER INC 2001-03-06 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 (2 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-20040092550-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines CETP, APOB, NR1H2 TACR1 1956/4885MGLL 200/4885KCNQ2 1347/4885
US-20050245570-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines CETP, APOB, HDLBP TACR1 4484/4885MGLL 137/4885KCNQ2 1913/4885

“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.