SCHEMBL1176583

SCHEMBL1176583

CCC1C[C@H](NC(=O)OCc2ccccc2)c2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.42
KCNQ2 O43526 1/20 0.42
MGLL Q99685 1/20 0.42
NAAA Q02083 3/20 0.41
TSHR P16473 1/20 0.41
PTGES O14684 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
CCR2 P41597 2/20 0.40
CCR3 P51677 1/20 0.40
HSD17B2 P37059 1/20 0.40
KIF11 P52732 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
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
SCHEMBL1176585 1.00 TACR1 (0.42) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL1176581 1.00 TACR1 (0.42) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL5820901 1.00 TACR1 (0.42) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL2706185 1.00 TACR1 (0.42) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL5474181 0.89 TACR1 (0.41) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL14597712 0.89 TACR1 (0.41) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL8060970 0.89 KCNQ2 (0.46) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL8060977 0.89 KCNQ2 (0.46) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL8060971 0.89 KCNQ2 (0.46) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL8996389 0.88 HSD17B2 (0.45) NAAAHSD17B2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158640-B2 Tetrahydroquinoline derivatives and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-17 US disclosed
US-20110039828-A1 TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-17 US disclosed
EP-1114032-B1 4-AMINO SUBSTITUTED-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PROD INC (US) 2004-06-02 EP disclosed
EP-1114032-A1 4-AMINO SUBSTITUTED-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS Pfizer Products Inc. (US) 2001-07-11 EP disclosed
WO-2000017165-A1 4-AMINO SUBSTITUTED-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-03-30 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-20110039828-A1 TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME CETP, MTTP, NPC1L1 TACR1 2517/4885KCNQ2 602/4885MGLL 222/4885

“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.