SCHEMBL708442

SCHEMBL708442

Clc1ccc(N2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HTT P42858 2/20 0.63
LMNA P02545 2/20 0.63
HPGD P15428 1/20 0.63
AKR1C3 P42330 1/20 0.63
HTR3E A5X5Y0 1/20 0.61
HTR3B O95264 1/20 0.61
ADRB1 P08588 1/20 0.61
HTR3A P46098 1/20 0.61
HTR3D Q70Z44 1/20 0.61
HTR3C Q8WXA8 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
MAPT P10636 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 3/20 0.58
POLB P06746 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
NPC1 O15118 2/20 0.58

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
SCHEMBL708444 1.00 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HTTLMNAHPGD
Hydrochloric Acid SCHEMBL2159161 0.98 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTLMNAHPGD
SCHEMBL1822749 0.97 HTR3E (0.64) ALDH1A1SMN1; SMN2HTTLMNAHPGD
SCHEMBL24103508 0.92 SIGMAR1 (0.64) ALDH1A1SMN1; SMN2HTTLMNAHPGD
SCHEMBL870704 0.87 HTR3E (0.70) ALDH1A1SMN1; SMN2HTTLMNAHPGD
SCHEMBL29998630 0.87 HTR3E (0.70) ALDH1A1SMN1; SMN2HTTLMNAHPGD
SCHEMBL6887590 0.87 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2HTTLMNAHPGD
SCHEMBL11644110 0.86 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTLMNAHPGD
SCHEMBL10772793 0.85 MAPT (0.60) ALDH1A1SMN1; SMN2HTTLMNAHPGD
SCHEMBL2174173 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US disclosed
US-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity ASTRAZENECA AB (SE) 2009-05-21 US disclosed
EP-1131290-B1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
US-6984637-B2 Cyclic amine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-01-10 US disclosed
EP-0903349-B1 CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2006-01-04 EP disclosed
US-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists GONG LEYI (US) 2004-12-30 US disclosed
EP-1131291-B1 4-AROYL-PIPERIDIN-CCR-3 RECEPTOR ANTAGONISTS III HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed
US-6683074-B1 PYRROLIDINYL, PIPERAZINYL AND AZEPINYL DERIVATIVES; INFLAMMATORY OR ALLERGIC DISEASES SYNTEX (U.S.A.) LLC 2004-01-27 US disclosed
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists ROCHE BIOSCIENCE 2003-08-14 US disclosed
US-6342509-B1 ANTIASTHMATICS, ANTIHISTAMINES OR BRONCHODIALATORS SYNTEX (U.S.A.) LLC 2002-01-29 US disclosed
US-6339087-B1 FOR THERAPY OF INFLAMMATORY OR ALLERGIC DISEASES ARE SELECTED FROM ASTHMA, ALLERGIC RHINITIS, HYPERSENSITIVITY LUNG DISEASES, HYPERSENSITIVITY PNEUMONITIS, EOSINOPHILIC PNEUMONIAS, INFLAMMATORY BOWEL DISEASES, PSORIASIS, DERMATITIS SYNTEX (U.S.A.) LLC 2002-01-15 US disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 US disclosed
US-6140344-A FOR TREATING PATHOLOGICAL CONDITIONS SUCH AS ASTHMA, RHINITIS, ECZEMA AND PARASITIC INFECTIONS FEATURING TISSUE EOSINOPHILIA SYNTEX (U.S.A.) INC. (US) 2000-10-31 US disclosed
EP-0903349-A2 CCR-3 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1999-03-24 EP 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 (6 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-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 ALDH1A1 1098/4885SMN1; SMN2 3154/4885HTT 4819/4885
US-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity AAAS, AMPD2, AMPD3 ALDH1A1 1789/4885SMN1; SMN2 4388/4885HTT 2895/4885
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 ALDH1A1 1098/4885SMN1; SMN2 3154/4885HTT 4819/4885
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK ALDH1A1 2130/4885SMN1; SMN2 4251/4885HTT 2931/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK ALDH1A1 2130/4885SMN1; SMN2 4251/4885HTT 2931/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK ALDH1A1 2130/4885SMN1; SMN2 4251/4885HTT 2931/4885

“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.