SCHEMBL2323968

SCHEMBL2323968

FC(F)(F)c1cccnc1-c1ccccc1[C@H]1CCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.45
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
HTR2C P28335 2/20 0.40
CHRNA7 P36544 2/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
EPHX2 P34913 1/20 0.36
MEN1 O00255 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL2324523 1.00 ADRA1A (0.45) ADRA1AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2323971 1.00 ADRA1A (0.45) ADRA1AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2326748 0.88 CHRNB2 (0.39) ADRA1AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2321313 0.87 TRPV1 (0.40) ADRA1AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8995630 0.86 CHRNB2 (0.39) ADRA1AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8995649 0.85 PDK2 (0.40) ADRA1AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL14837801 0.84 ADRA1A (0.37) ADRA1AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2322176 0.81 CHRNB2 (0.42) ADRA1AHTR1ASLC6A2SLC6A4CHRNB2
SCHEMBL457401 0.79 HTR2C (0.56) HTR1ASLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL29589456 0.79 HTR2C (0.56) HTR1ASLC6A2SLC6A4SLC6A3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102203077-B (pyrrolidin-2-yl) phenyl derivatives for the treatment of pain MERCK SHARP & DOHME 2014-07-09 CN claimed
EP-2356105-B1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN MSD OSS BV (NL) 2013-04-10 EP claimed
US-8188123-B2 (Pyrrolidin-2-yl)phenyl derivatives MERCK SHARP & DOHME B.V. (NL) 2012-05-29 US claimed
EP-2356105-A1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN N.V. Organon (NL) 2011-08-17 EP claimed
WO-2010052198-A1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN N.V. ORGANON (NL) 2010-05-14 WO claimed
US-20100113493-A1 (PYRROLIDIN-2-YL)PHENYL DERIVATIVES N.V. ORGANON 2010-05-06 US claimed
CN-102203077-B (pyrrolidin-2-yl) phenyl derivatives for the treatment of pain MERCK SHARP & DOHME 2014-07-09 CN disclosed
EP-2356105-B1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN MSD OSS BV (NL) 2013-04-10 EP disclosed
EP-2356105-B1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN MSD OSS BV (NL) 2013-04-10 EP disclosed
US-8188123-B2 (Pyrrolidin-2-yl)phenyl derivatives MERCK SHARP & DOHME B.V. (NL) 2012-05-29 US disclosed
US-8188123-B2 (Pyrrolidin-2-yl)phenyl derivatives MERCK SHARP & DOHME B.V. (NL) 2012-05-29 US disclosed
US-8188123-B2 (Pyrrolidin-2-yl)phenyl derivatives MERCK SHARP & DOHME B.V. (NL) 2012-05-29 US disclosed
EP-2356105-A1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN N.V. Organon (NL) 2011-08-17 EP disclosed
US-20100113493-A1 (PYRROLIDIN-2-YL)PHENYL DERIVATIVES N.V. ORGANON 2010-05-06 US disclosed
US-20100113493-A1 (PYRROLIDIN-2-YL)PHENYL DERIVATIVES N.V. ORGANON 2010-05-06 US disclosed
US-20100113493-A1 (PYRROLIDIN-2-YL)PHENYL DERIVATIVES N.V. ORGANON 2010-05-06 US disclosed
EP-1045915-A2 REGULATION OF BIOLOGICAL EVENTS USING MULTIMERIC CHIMERIC PROTEINS ARIAD GENE THERAPEUTICS, INC. (US) 2000-10-25 EP disclosed
WO-1999036553-A2 REGULATION OF BIOLOGICAL EVENTS USING MULTIMERIC CHIMERIC PROTEINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-07-22 WO disclosed
EP-0833894-A1 RAPAMCYCIN-BASED REGULATION OF BIOLOGICAL EVENTS ARIAD GENE THERAPEUTICS, INC. (US) 1998-04-08 EP disclosed
WO-1996041865-A1 RAPAMCYCIN-BASED REGULATION OF BIOLOGICAL EVENTS ARIAD GENE THERAPEUTICS, INC. (US) 1996-12-27 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-20100113493-A1 (PYRROLIDIN-2-YL)PHENYL DERIVATIVES CNR1, CNR2, TRPV1 ADRA1A 520/4885HTR1A 1773/4885SLC6A2 2196/4885

“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.