SCHEMBL450702

SCHEMBL450702

C[C@H](N)c1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.65
PNMT P11086 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
NFKB1 P19838 1/20 0.65
LMNA P02545 2/20 0.63
ALDH1A1 P00352 1/20 0.63
GLA P06280 1/20 0.63
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
ADRB2 P07550 1/20 0.39
PDE2A O00408 1/20 0.38
MAPK1 P28482 1/20 0.37
PDCD1LG2 Q9BQ51 3/20 0.37
CD274 Q9NZQ7 3/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ESR1 P03372 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 3/20 0.34

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
SCHEMBL14373062 0.80 CYP3A4 (0.41) CYP3A4PNMTCYP1A2CYP2D6NFKB1
SCHEMBL18891265 0.79 CYP3A4 (0.52) CYP3A4PNMTCYP1A2CYP2D6NFKB1
SCHEMBL158333 0.79 PNMT (1.00) CYP3A4PNMTCYP1A2CYP2D6NFKB1
SCHEMBL12061474 0.79 CYP3A4 (0.52) CYP3A4PNMTCYP1A2CYP2D6NFKB1
SCHEMBL8207165 0.79 PNMT (1.00) CYP3A4PNMTCYP1A2CYP2D6NFKB1
SCHEMBL8207792 0.79 PNMT (1.00) CYP3A4PNMTCYP1A2CYP2D6NFKB1
SCHEMBL11501879 0.78 CYP3A4 (0.40) CYP3A4PNMTCYP1A2CYP2D6NFKB1
SCHEMBL17069825 0.77 CYP1A2 (0.50) CYP3A4PNMTCYP1A2CYP2D6NFKB1
SCHEMBL17069824 0.77 CYP1A2 (0.50) CYP3A4PNMTCYP1A2CYP2D6NFKB1
Hydrochloric Acid SCHEMBL1321451 0.77 LMNA (1.00) CYP3A4PNMTCYP1A2CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASAHI KASEI PHARMA CORPORATION (JP) 2023-05-18 US disclosed
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASAHI KASEI PHARMA CORPORATION (JP) 2023-05-18 US disclosed
US-11077100-B2 Tetrahydroquinoline derivatives as P2X7 receptor antagonists RAQUALIA PHARMA INC. (JP) 2021-08-03 US disclosed
US-20210085667-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-03-25 US disclosed
US-20200405706-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2020-12-31 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 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 (5 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-20200405706-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 CYP3A4 752/4885PNMT 2406/4885CYP1A2 758/4885
US-11077100-B2 Tetrahydroquinoline derivatives as P2X7 receptor antagonists P2RX7, P2RX3, P2RX1 CYP3A4 752/4885PNMT 2406/4885CYP1A2 758/4885
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 CYP3A4 752/4885PNMT 2406/4885CYP1A2 758/4885
US-20210085667-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 CYP3A4 752/4885PNMT 2406/4885CYP1A2 758/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH CYP3A4 717/4885PNMT 446/4885CYP1A2 176/4885

“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.