SCHEMBL3591836

SCHEMBL3591836

Cc1ccc(Cl)c(CN)c1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
P2RX7 Q99572 3/20 0.40
TAAR1 Q96RJ0 2/20 0.38
CYP3A4 P08684 2/20 0.34
DPP4 P27487 2/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PNMT P11086 2/20 0.31
PKM P14618 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL15913864 0.82 TAAR1 (0.43) HTR2AHTR2CHTR2BTAAR1DPP4
SCHEMBL9608985 0.81 P2RX7 (0.40) HTR2AHTR2CHTR2BP2RX7TAAR1
SCHEMBL3667290 0.80 TAAR1 (0.38) HTR2AHTR2CHTR2BTAAR1CYP3A4
SCHEMBL955817 0.79 HTR2A (0.42) HTR2AHTR2CHTR2BP2RX7TAAR1
SCHEMBL1168411 0.79 P2RX7 (0.43) HTR2AHTR2CHTR2BP2RX7TAAR1
SCHEMBL26568920 0.78 ALDH1A1 (0.38) HTR2AHTR2CHTR2BTAAR1CYP3A4
SCHEMBL16812300 0.78 TAAR1 (0.45) TAAR1DPP4PNMT
SCHEMBL30818217 0.78 TAAR1 (0.45) TAAR1DPP4PNMT
SCHEMBL2849049 0.78 HTR2A (0.34) HTR2AHTR2CHTR2BTAAR1
SCHEMBL3676586 0.77 HTR2A (0.33) HTR2AHTR2CHTR2BP2RX7TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609868-B1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC (JP) 2023-10-18 EP disclosed
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-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 US disclosed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 US disclosed
US-7709469-B2 P2X7 receptor antagonists and methods of use ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 US disclosed
EP-1951689-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-08-06 EP disclosed
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
WO-2007056046-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-05-18 WO disclosed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 US disclosed
WO-2007023281-A2 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2007-03-01 WO disclosed
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-02-15 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US disclosed
EP-1448555-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES Celltech R & D Limited (GB) 2004-08-25 EP disclosed
WO-2003045941-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES CELLTECH R & D LIMITED (GB) 2003-06-05 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 (9 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 HTR2A 125/4885HTR2C 132/4885HTR2B 152/4885
US-11077100-B2 Tetrahydroquinoline derivatives as P2X7 receptor antagonists P2RX7, P2RX3, P2RX1 HTR2A 125/4885HTR2C 132/4885HTR2B 152/4885
US-20070105842-A1 P2X7 receptor antagonists and methods of use P2RX7, P2RX1, P2RX3 HTR2A 791/4885HTR2C 821/4885HTR2B 436/4885
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 HTR2A 125/4885HTR2C 132/4885HTR2B 152/4885
US-20210085667-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 HTR2A 125/4885HTR2C 132/4885HTR2B 152/4885
US-20090131502-A1 Biologically active compounds COLGALT1, SOST, COL1A1 HTR2A 4611/4885HTR2C 4708/4885HTR2B 4412/4885
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection CX3CR1, CCL5, CCRL2 HTR2A 4669/4885HTR2C 4062/4885HTR2B 3901/4885
US-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 HTR2A 3974/4885HTR2C 2855/4885HTR2B 2439/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 HTR2A 1198/4885HTR2C 2036/4885HTR2B 648/4885

“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.