SCHEMBL2389571

SCHEMBL2389571

CCc1ccc(CN)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.45
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.39
BACE1 P56817 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
LMNA P02545 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 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
SCHEMBL10240551 0.85 TRPA1 (0.43) TAAR1HTR1AHTR1DHTR1BBACE1
SCHEMBL2007285 0.85 LOXL2 (0.48) TAAR1LOXL2CYP2A6IDO1AGXT
SCHEMBL1695325 0.83 CSNK2A1 (0.45) TAAR1LOXL2BACE1KDM4CCSNK2A2
SCHEMBL15308657 0.81 TRPA1 (0.40) TAAR1HTR1AHTR1DHTR1BBACE1
SCHEMBL6563067 0.81 TAAR1 (0.52) TAAR1HTR1ABACE1CYP1A2CYP2A6
SCHEMBL28098160 0.80 TAAR1 (0.44) TAAR1HTR1AHTR1DHTR1BLOXL2
SCHEMBL18235903 0.80 LMNA (0.38) HTR1AHTR1DHTR1BLOXL2BACE1
SCHEMBL24822460 0.79 TRPA1 (0.39) TAAR1HTR1AHTR1DHTR1BBACE1
SCHEMBL22754128 0.79 TRPA1 (0.39) TAAR1HTR1AHTR1DHTR1BBACE1
SCHEMBL2948434 0.79 CYP4F2 (0.40) TAAR1LOXL2IDO1AGXTKIF11

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385065-B2 Antibacterial compounds REDX PHARMA PLC (GB) 2019-08-20 US disclosed
US-20170158708-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-06-08 US disclosed
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US disclosed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US disclosed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO disclosed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 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 (8 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-20170158708-A1 ANTIBACTERIAL COMPOUNDS ABCC1, SLC11A2, NQO2 TAAR1 4459/4885HTR1A 4768/4885HTR1D 4807/4885
US-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 TAAR1 269/4885HTR1A 995/4885HTR1D 1346/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 TAAR1 363/4885HTR1A 1446/4885HTR1D 1746/4885
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 TAAR1 2904/4885HTR1A 1245/4885HTR1D 2434/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 TAAR1 363/4885HTR1A 1446/4885HTR1D 1746/4885
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 TAAR1 4325/4885HTR1A 2242/4885HTR1D 3364/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 TAAR1 4325/4885HTR1A 2242/4885HTR1D 3364/4885
US-10385065-B2 Antibacterial compounds ABCC1, SLC11A2, NQO2 TAAR1 4459/4885HTR1A 4768/4885HTR1D 4807/4885

“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.