SCHEMBL585773

SCHEMBL585773

Clc1ccc(Cl)c2c1C[N]C2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.33
HTR1A P08908 2/20 0.33
HTR1D P28221 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR7 P34969 2/20 0.33
HTR3A P46098 2/20 0.33
HTR6 P50406 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
AHR P35869 1/20 0.30
TP53 P04637 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL577343 0.85 HPGD (0.31)
SCHEMBL3072584 0.82 NISCH (0.31)
SCHEMBL5537441 0.75 HTR2A (0.44) HTR5AHTR1AHTR1DHTR2AHTR2C
SCHEMBL6225771 0.67 PNMT (0.32)
SCHEMBL2299222 0.65 ADRA2A (0.47) HTR5AHTR1AHTR1DHTR2AHTR2C
SCHEMBL3482986 0.65 CYP1A2 (0.33) HTR2AHTR2CCYP1A2CYP2A6AHR
SCHEMBL1647079 0.62 PNMT (0.46) HTR2AHTR2CCYP1A2CYP2A6NOTUM
SCHEMBL2159908 0.58 IDO1 (0.39) CYP1A2CYP2A6AHRTP53LMNA
SCHEMBL16291614 0.56 CYP2A6 (0.37) CYP1A2CYP2A6AHRTP53LMNA
SCHEMBL9344302 0.55 CYP2A6 (0.44) CYP1A2CYP2A6AHRTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed
EP-0719139-A1 USE OF CENTRALLY ACTIVE ALPHAAGONISTS FOR INHIBING POSTRAUMATIC METABOLIC STRESS Dr. Karl Thomae GmbH (DE) 1996-07-03 EP disclosed
WO-1995003798-A2 USE OF CENTRALLY EFFECTIVE α-2 AGONISTS FOR INHIBITING POSTAGGRESSION METABOLISM BOEHRINGER INGELHEIM INT (DE) 1995-02-09 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 HTR5A 4099/4885HTR1A 2934/4885HTR1D 3209/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 HTR5A 4099/4885HTR1A 2934/4885HTR1D 3209/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 HTR5A 4099/4885HTR1A 2934/4885HTR1D 3209/4885

“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.